N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

C19H30N2O3S — CID 164640163

IUPACN-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCOCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(C2CCCCC2)C1
InChIInChI=1S/C19H30N2O3S/c1-24-15-13-19(20-25(22,23)18-10-6-3-7-11-18)12-14-21(16-19)17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3/t19-/m1/s1
InChIKeyPTDDXXAAWVKVSY-LJQANCHMSA-N
MW366.53 g/mol
LogP2.78
Rot. Bonds7

About N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 164640163) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID164640163
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCOCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(C2CCCCC2)C1
InChIInChI=1S/C19H30N2O3S/c1-24-15-13-19(20-25(22,23)18-10-6-3-7-11-18)12-14-21(16-19)17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3/t19-/m1/s1
InChIKeyPTDDXXAAWVKVSY-LJQANCHMSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-Methanesulfonyl-4-(2-methoxyethyl)piperidin-4-YL]benzenesulfonamide
CID 124045973
N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 124075632
(1S,5R,7S)-3-(4-fluorophenyl)sulfonyl-7-(methoxymethyl)-2,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 155902219
N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 164627826
N-[(3R)-3-(2-methoxyethyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 164638510
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-2-fluoro-1-benzenesulfonamide
CID 91923055
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-fluoro-1-benzenesulfonamide
CID 91923056
1-(3-Fluorobenzenesulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine
CID 124075543
N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-3-fluorobenzenesulfonamide
CID 124075633
N-[1-(4-Fluorobenzenesulfonyl)-3-(2-methoxyethyl)pyrrolidin-3-YL]benzenesulfonamide
CID 132433372
N-[3-(2-Methoxyethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-YL]benzenesulfonamide
CID 132433377
2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 136575347

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide (CID 164640163) is N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide is COCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(C2CCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is PTDDXXAAWVKVSY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-24-15-13-19(20-25(22,23)18-10-6-3-7-11-18)12-14-21(16-19)17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3/t19-/m1/s1.
What are the key properties of N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclohexyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164640163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).