N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide

C13H28N2O2S — CID 103520688

IUPACN-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11,14H2,1-3H3
InChIKeyRHVPPRHPGASVEW-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide

N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520688) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520688
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11,14H2,1-3H3
InChIKeyRHVPPRHPGASVEW-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521346
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
CID 86780680
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
1-(aminomethyl)-1-(diethylsulfamoylamino)cyclopentane
CID 28940522
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
1-(aminomethyl)-N-tert-butylcyclopentan-1-amine
CID 82503235
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide (CID 103520688) is N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is RHVPPRHPGASVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).