N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide

C12H25N3O2S — CID 28940696

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-4-6-12(10-13,7-5-11)14-18(16,17)15-8-2-3-9-15/h11,14H,2-10,13H2,1H3
InChIKeyLWFNSURSPXQNOI-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.82
Rot. Bonds4

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

N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 28940696) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID28940696
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-4-6-12(10-13,7-5-11)14-18(16,17)15-8-2-3-9-15/h11,14H,2-10,13H2,1H3
InChIKeyLWFNSURSPXQNOI-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
CID 28940608
1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947771
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 62525311
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290240
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
CID 43119831
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929899
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide (CID 28940696) is N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide is CC1CCC(CN)(NS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is LWFNSURSPXQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-4-6-12(10-13,7-5-11)14-18(16,17)15-8-2-3-9-15/h11,14H,2-10,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 28940696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).