2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C14H27N3O3S — CID 79112855

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O3S/c1-14(7-8-21(19,20)10-14)16-13(18)9-17(2)12-5-3-11(15)4-6-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyHWVITMICPGPFQZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.12
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 79112855) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID79112855
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O3S/c1-14(7-8-21(19,20)10-14)16-13(18)9-17(2)12-5-3-11(15)4-6-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyHWVITMICPGPFQZ-UHFFFAOYSA-N
XLogP-0.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301864
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 98720488
2-[3-aminopropyl(methyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 81492930
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78963352
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 102977313
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78761765
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 51683459

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 79112855) is 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HWVITMICPGPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-14(7-8-21(19,20)10-14)16-13(18)9-17(2)12-5-3-11(15)4-6-12/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 317.46 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 79112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).