4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine

C15H29NO2S — CID 60733471

IUPAC4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-19(17,18)11-12/h12-14,16H,4-11H2,1-3H3
InChIKeyYMKJNDFNMFBKJS-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.62
Rot. Bonds3

About 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine

4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine (PubChem CID 60733471) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
PubChem CID60733471
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-19(17,18)11-12/h12-14,16H,4-11H2,1-3H3
InChIKeyYMKJNDFNMFBKJS-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-azaspiro[5.5]undecan-9-amine
CID 95212523
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54915142
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835884
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
CID 106016789
3-(4-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]cyclobutan-1-amine
CID 61058760
3-[(1,1-dioxothiolan-3-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821582
N-[2-(1,1-dioxothiolan-3-yl)-2-ethylbutyl]cyclopropanamine
CID 62724450
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95622373
N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914819

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine (CID 60733471) is 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCC(NCC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is YMKJNDFNMFBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-19(17,18)11-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60733471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).