(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one

C15H32N4O3S — CID 126831461

IUPAC(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
SMILESCC(C)C[C@H](NS(=O)(=O)NC(C)C)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H32N4O3S/c1-11(2)9-14(17-23(21,22)16-12(3)4)15(20)19-8-7-13(10-19)18(5)6/h11-14,16-17H,7-10H2,1-6H3/t13?,14-/m0/s1
InChIKeyFJVUNMBCIAAAAB-KZUDCZAMSA-N
MW348.51 g/mol
LogP0.40
Rot. Bonds8

About (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one

(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one (PubChem CID 126831461) has the molecular formula C15H32N4O3S and a molecular weight of 348.51 g/mol. Its IUPAC name is (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one.

Molecular Properties

Compound Name(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
PubChem CID126831461
Molecular FormulaC15H32N4O3S
Molecular Weight348.51 g/mol
Exact Mass348.22
IUPAC Name(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
SMILESCC(C)C[C@H](NS(=O)(=O)NC(C)C)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H32N4O3S/c1-11(2)9-14(17-23(21,22)16-12(3)4)15(20)19-8-7-13(10-19)18(5)6/h11-14,16-17H,7-10H2,1-6H3/t13?,14-/m0/s1
InChIKeyFJVUNMBCIAAAAB-KZUDCZAMSA-N
XLogP0.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide
CID 154760865
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-sulfanylpropan-1-one
CID 107029351
N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 97313843
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63165078
(2S)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-one
CID 125423903
2-(aminomethyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63164816
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
2-(cyclopentylsulfamoylamino)-4-methyl-1-morpholin-4-ylpentan-1-one
CID 110625583
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one?
The IUPAC name of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one (CID 126831461) is (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one.
What is the SMILES notation for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one?
The canonical SMILES for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one is CC(C)C[C@H](NS(=O)(=O)NC(C)C)C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one?
The InChIKey is FJVUNMBCIAAAAB-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H32N4O3S/c1-11(2)9-14(17-23(21,22)16-12(3)4)15(20)19-8-7-13(10-19)18(5)6/h11-14,16-17H,7-10H2,1-6H3/t13?,14-/m0/s1.
What are the key properties of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one?
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one has a molecular weight of 348.51 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one is sourced from PubChem (CID 126831461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).