N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide

C12H26N2O2S — CID 28940718

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-9-17(15,16)14-12(10-13)7-5-11(2)6-8-12/h11,14H,3-10,13H2,1-2H3
InChIKeyGLXOJGVDMCPLPK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.61
Rot. Bonds6

About N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide (PubChem CID 28940718) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide
PubChem CID28940718
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-9-17(15,16)14-12(10-13)7-5-11(2)6-8-12/h11,14H,3-10,13H2,1-2H3
InChIKeyGLXOJGVDMCPLPK-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
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-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
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-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
CID 120607128

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide (CID 28940718) is N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide?
The InChIKey is GLXOJGVDMCPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-4-9-17(15,16)14-12(10-13)7-5-11(2)6-8-12/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 28940718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).