N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

C14H22N2O2S — CID 55136438

IUPACN-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-4-12-5-7-14(8-6-12)19(17,18)16(2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyKLEXUDGVPZDGNA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds5

About N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55136438) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55136438
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-4-12-5-7-14(8-6-12)19(17,18)16(2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyKLEXUDGVPZDGNA-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 63300290
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978600

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55136438) is N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is KLEXUDGVPZDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-12-5-7-14(8-6-12)19(17,18)16(2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55136438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).