N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide

C17H32N2O3S — CID 75414639

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(C)N(C)CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H32N2O3S/c1-13(2)14(3)18(4)11-17(20)19(15-7-5-6-8-15)16-9-10-23(21,22)12-16/h13-16H,5-12H2,1-4H3
InChIKeyWGUVTRGBOKJVHQ-UHFFFAOYSA-N
MW344.52 g/mol
LogP1.92
Rot. Bonds6

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide (PubChem CID 75414639) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
PubChem CID75414639
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(C)N(C)CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H32N2O3S/c1-13(2)14(3)18(4)11-17(20)19(15-7-5-6-8-15)16-9-10-23(21,22)12-16/h13-16H,5-12H2,1-4H3
InChIKeyWGUVTRGBOKJVHQ-UHFFFAOYSA-N
XLogP1.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156
2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60523416
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 164638759
4-[[[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125157
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide
CID 45354516
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8902315
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95344129

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide (CID 75414639) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide is CC(C)C(C)N(C)CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide?
The InChIKey is WGUVTRGBOKJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-13(2)14(3)18(4)11-17(20)19(15-7-5-6-8-15)16-9-10-23(21,22)12-16/h13-16H,5-12H2,1-4H3.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide has a molecular weight of 344.52 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 75414639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).