N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide

C13H28N2O2S — CID 131944790

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-5-11-18(16,17)14-12-13(15(2)3)9-7-6-8-10-13/h14H,4-12H2,1-3H3
InChIKeyBYNXWQJNLBDSKT-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide

N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide (PubChem CID 131944790) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
PubChem CID131944790
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-5-11-18(16,17)14-12-13(15(2)3)9-7-6-8-10-13/h14H,4-12H2,1-3H3
InChIKeyBYNXWQJNLBDSKT-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
CID 106076855
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
1-butyl-N,N-dimethylcyclohexan-1-amine
CID 21197213
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
CID 83120440
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
CID 107651664
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
N-[[1-(dimethylamino)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 61252713

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide (CID 131944790) is N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide?
The InChIKey is BYNXWQJNLBDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-5-11-18(16,17)14-12-13(15(2)3)9-7-6-8-10-13/h14H,4-12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 131944790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).