N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 63246459

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11-4-6-13(10-14,7-5-11)15-19(16,17)9-12-3-2-8-18-12/h11-12,15H,2-10,14H2,1H3
InChIKeyZWAYMZZFMWLANB-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds5

About N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246459) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246459
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11-4-6-13(10-14,7-5-11)15-19(16,17)9-12-3-2-8-18-12/h11-12,15H,2-10,14H2,1H3
InChIKeyZWAYMZZFMWLANB-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009829
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55174512
N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174693
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174883
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55174884
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide
CID 62048240
N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide
CID 62048241
N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide
CID 63245848
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxyethanesulfonamide
CID 63245937
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxyethanesulfonamide
CID 63245938

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63246459) is N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is CC1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is ZWAYMZZFMWLANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-4-6-13(10-14,7-5-11)15-19(16,17)9-12-3-2-8-18-12/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).