N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide

C12H24N2O2S — CID 64989375

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)CC2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-10-3-2-6-12(7-10,9-13)14-17(15,16)8-11-4-5-11/h10-11,14H,2-9,13H2,1H3
InChIKeyHPTPUAWBPLVOGQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide (PubChem CID 64989375) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
PubChem CID64989375
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)CC2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-10-3-2-6-12(7-10,9-13)14-17(15,16)8-11-4-5-11/h10-11,14H,2-9,13H2,1H3
InChIKeyHPTPUAWBPLVOGQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide (CID 64989375) is N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide is CC1CCCC(CN)(NS(=O)(=O)CC2CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is HPTPUAWBPLVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-3-2-6-12(7-10,9-13)14-17(15,16)8-11-4-5-11/h10-11,14H,2-9,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).