N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide

C13H25N3O4S — CID 38143853

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide
SMILESCCC[C@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O4S/c1-4-5-10(2)16(3)8-12(17)15-13(18)14-11-6-7-21(19,20)9-11/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t10-,11+/m0/s1
InChIKeyYAGWKTLZPKIQRH-WDEREUQCSA-N
MW319.43 g/mol
LogP0.12
Rot. Bonds6

About N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide

N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide (PubChem CID 38143853) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide
PubChem CID38143853
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide
SMILESCCC[C@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O4S/c1-4-5-10(2)16(3)8-12(17)15-13(18)14-11-6-7-21(19,20)9-11/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t10-,11+/m0/s1
InChIKeyYAGWKTLZPKIQRH-WDEREUQCSA-N
XLogP0.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide with MolForge

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Related Compounds

2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 7042972
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838279
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631799
N-heptan-4-yl-1,1-dioxothiolan-3-amine
CID 43191007
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide (CID 38143853) is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide is CCC[C@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide?
The InChIKey is YAGWKTLZPKIQRH-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-4-5-10(2)16(3)8-12(17)15-13(18)14-11-6-7-21(19,20)9-11/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t10-,11+/m0/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide has a molecular weight of 319.43 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[methyl-[(2S)-pentan-2-yl]amino]acetamide is sourced from PubChem (CID 38143853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).