N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C16H32N2O2S — CID 106609116

IUPACN-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-3-12-18(13-16-10-7-11-17-16)21(19,20)14-15-8-5-4-6-9-15/h15-17H,2-14H2,1H3
InChIKeyFQOFCPWOQFYWRR-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.75
Rot. Bonds8

About N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106609116) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106609116
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-3-12-18(13-16-10-7-11-17-16)21(19,20)14-15-8-5-4-6-9-15/h15-17H,2-14H2,1H3
InChIKeyFQOFCPWOQFYWRR-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide 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-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
CID 106609362
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 106609173
1-cyclohexyl-N-cyclopropyl-N-(piperidin-2-ylmethyl)methanesulfonamide
CID 106630084
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106609116) is N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CCCCN(CC1CCCN1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is FQOFCPWOQFYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-2-3-12-18(13-16-10-7-11-17-16)21(19,20)14-15-8-5-4-6-9-15/h15-17H,2-14H2,1H3.
What are the key properties of N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106609116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).