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

C17H28N4O3S — CID 164638759

IUPACN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1nccn1C
InChIInChI=1S/C17H28N4O3S/c1-19(11-16-18-8-9-20(16)2)12-17(22)21(14-5-3-4-6-14)15-7-10-25(23,24)13-15/h8-9,14-15H,3-7,10-13H2,1-2H3/t15-/m0/s1
InChIKeyPITSAVZRSVQVKC-HNNXBMFYSA-N
MW368.50 g/mol
LogP0.81
Rot. Bonds6

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

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (PubChem CID 164638759) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
PubChem CID164638759
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1nccn1C
InChIInChI=1S/C17H28N4O3S/c1-19(11-16-18-8-9-20(16)2)12-17(22)21(14-5-3-4-6-14)15-7-10-25(23,24)13-15/h8-9,14-15H,3-7,10-13H2,1-2H3/t15-/m0/s1
InChIKeyPITSAVZRSVQVKC-HNNXBMFYSA-N
XLogP0.81
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide with MolForge

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Related Compounds

4-[[[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125157
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602691
N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
CID 110467315
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 75414639
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(triazol-1-yl)acetamide
CID 164640200
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95344129
2-[[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387567
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide
CID 45354516

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (CID 164638759) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is CN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1nccn1C.
What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The InChIKey is PITSAVZRSVQVKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-19(11-16-18-8-9-20(16)2)12-17(22)21(14-5-3-4-6-14)15-7-10-25(23,24)13-15/h8-9,14-15H,3-7,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide has a molecular weight of 368.50 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 164638759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).