1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide

C11H22N2O2S — CID 71057635

IUPAC1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide
SMILESNC1(CS(=O)(=O)NC2CCC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-11(7-2-1-3-8-11)9-16(14,15)13-10-5-4-6-10/h10,13H,1-9,12H2
InChIKeyDTXMBFWEZPRTNI-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.12
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide

1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide (PubChem CID 71057635) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide
PubChem CID71057635
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide
SMILESNC1(CS(=O)(=O)NC2CCC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-11(7-2-1-3-8-11)9-16(14,15)13-10-5-4-6-10/h10,13H,1-9,12H2
InChIKeyDTXMBFWEZPRTNI-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 100648695
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 100648709
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 100648722
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 100648734
N-[2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 121514845

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide (CID 71057635) is 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide is NC1(CS(=O)(=O)NC2CCC2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide?
The InChIKey is DTXMBFWEZPRTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-11(7-2-1-3-8-11)9-16(14,15)13-10-5-4-6-10/h10,13H,1-9,12H2.
What are the key properties of 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-cyclobutylmethanesulfonamide is sourced from PubChem (CID 71057635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).