N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide

C12H26N2O2S — CID 62008214

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide
SMILESCC1CCC(CN)(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)17(15,16)14(4)12(9-13)7-5-11(3)6-8-12/h10-11H,5-9,13H2,1-4H3
InChIKeyNQGKDPCVXCPQAJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.56
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide (PubChem CID 62008214) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide
PubChem CID62008214
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide
SMILESCC1CCC(CN)(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)17(15,16)14(4)12(9-13)7-5-11(3)6-8-12/h10-11H,5-9,13H2,1-4H3
InChIKeyNQGKDPCVXCPQAJ-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide (CID 62008214) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide is CC1CCC(CN)(N(C)S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide?
The InChIKey is NQGKDPCVXCPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)17(15,16)14(4)12(9-13)7-5-11(3)6-8-12/h10-11H,5-9,13H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 62008214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).