N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride

C13H29ClN2O2S — CID 120607511

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-11(2)7-9-18(16,17)15-13(10-14)8-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H
InChIKeyNRNCUKOOCKJTOQ-UHFFFAOYSA-N
MW312.91 g/mol
LogP2.28
Rot. Bonds6

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride (PubChem CID 120607511) has the molecular formula C13H29ClN2O2S and a molecular weight of 312.91 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
PubChem CID120607511
Molecular FormulaC13H29ClN2O2S
Molecular Weight312.91 g/mol
Exact Mass312.16
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-11(2)7-9-18(16,17)15-13(10-14)8-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H
InChIKeyNRNCUKOOCKJTOQ-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride (CID 120607511) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride is CC(C)CCS(=O)(=O)NC1(CN)CCCCC1C.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride?
The InChIKey is NRNCUKOOCKJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S.ClH/c1-11(2)7-9-18(16,17)15-13(10-14)8-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride has a molecular weight of 312.91 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).