N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide

C10H18N2O2S2 — CID 174426200

IUPACN-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide
SMILESCCCC(NC(=O)C1SCCCS1)C(N)=O
InChIInChI=1S/C10H18N2O2S2/c1-2-4-7(8(11)13)12-9(14)10-15-5-3-6-16-10/h7,10H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyXRGDRUPCGORNJI-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.95
Rot. Bonds5

About N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide

N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide (PubChem CID 174426200) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide
PubChem CID174426200
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide
SMILESCCCC(NC(=O)C1SCCCS1)C(N)=O
InChIInChI=1S/C10H18N2O2S2/c1-2-4-7(8(11)13)12-9(14)10-15-5-3-6-16-10/h7,10H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyXRGDRUPCGORNJI-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
2-acetamidopentanamide
CID 23273489
N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide
CID 143290515
2-methyl-1-(thian-2-yl)pentan-1-one
CID 80596492
4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
CID 167519008
(2S)-N-(1-amino-1,2-dioxohexan-3-yl)-1-(ethoxymethyl)pyrrolidine-2-carboxamide
CID 143100942
N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 154832931
(2R)-3-methyl-N-[(3S)-2-oxohexan-3-yl]oxirane-2-carboxamide
CID 143654031
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
CID 56997535
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
N-(1-aminohexan-2-yl)thiolane-2-carboxamide
CID 80698105

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide (CID 174426200) is N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide is CCCC(NC(=O)C1SCCCS1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide?
The InChIKey is XRGDRUPCGORNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-2-4-7(8(11)13)12-9(14)10-15-5-3-6-16-10/h7,10H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide?
N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopentan-2-yl)-1,3-dithiane-2-carboxamide is sourced from PubChem (CID 174426200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).