N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole

C17H28N6O4S — CID 143290514

IUPACN-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole
SMILESCCCC(NC(=O)C(C)NC(=O)C1CSC(C)C(=O)N1)C(N)=O.c1c[nH]cn1
InChIInChI=1S/C14H24N4O4S.C3H4N2/c1-4-5-9(11(15)19)17-12(20)7(2)16-14(22)10-6-23-8(3)13(21)18-10;1-2-5-3-4-1/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21);1-3H,(H,4,5)
InChIKeyXCRATYXKZDFGRJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP-0.71
Rot. Bonds7

About N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole

N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole (PubChem CID 143290514) has the molecular formula C17H28N6O4S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole.

Molecular Properties

Compound NameN-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole
PubChem CID143290514
Molecular FormulaC17H28N6O4S
Molecular Weight412.52 g/mol
Exact Mass412.19
IUPAC NameN-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole
SMILESCCCC(NC(=O)C(C)NC(=O)C1CSC(C)C(=O)N1)C(N)=O.c1c[nH]cn1
InChIInChI=1S/C14H24N4O4S.C3H4N2/c1-4-5-9(11(15)19)17-12(20)7(2)16-14(22)10-6-23-8(3)13(21)18-10;1-2-5-3-4-1/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21);1-3H,(H,4,5)
InChIKeyXCRATYXKZDFGRJ-UHFFFAOYSA-N
XLogP-0.71
TPSA159.07 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide
CID 143290515
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(3R,6R)-6-methyl-5-oxothiomorpholine-3-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 15298444
(3S,6R)-6-methyl-5-oxothiomorpholine-3-carboxylic acid
CID 99645794
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 45049798
N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide
CID 174426200
6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
CID 91093224
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16R)-16-amino-7-butan-2-yl-10,13-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10463131
(3S,6S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 100850418
(2S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]pentanamide
CID 167255044
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
2-acetamidopentanamide
CID 23273489

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole?
The IUPAC name of N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole (CID 143290514) is N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole.
What is the SMILES notation for N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole?
The canonical SMILES for N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole is CCCC(NC(=O)C(C)NC(=O)C1CSC(C)C(=O)N1)C(N)=O.c1c[nH]cn1.
What is the InChIKey of N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole?
The InChIKey is XCRATYXKZDFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S.C3H4N2/c1-4-5-9(11(15)19)17-12(20)7(2)16-14(22)10-6-23-8(3)13(21)18-10;1-2-5-3-4-1/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21);1-3H,(H,4,5).
What are the key properties of N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole?
N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole has a molecular weight of 412.52 g/mol, XLogP of -0.71, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide;1H-imidazole is sourced from PubChem (CID 143290514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).