N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide

C15H22N2O3S — CID 134017722

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)N2CCCC2)C2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-20-14-8-6-13(7-9-14)15(12-4-5-12)16-21(18,19)17-10-2-3-11-17/h6-9,12,15-16H,2-5,10-11H2,1H3
InChIKeyINCREZXCEQCPKA-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.08
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 134017722) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID134017722
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)N2CCCC2)C2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-20-14-8-6-13(7-9-14)15(12-4-5-12)16-21(18,19)17-10-2-3-11-17/h6-9,12,15-16H,2-5,10-11H2,1H3
InChIKeyINCREZXCEQCPKA-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
2-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanesulfonamide
CID 107650887
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51927549
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide (CID 134017722) is N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide is COc1ccc(C(NS(=O)(=O)N2CCCC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is INCREZXCEQCPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-14-8-6-13(7-9-14)15(12-4-5-12)16-21(18,19)17-10-2-3-11-17/h6-9,12,15-16H,2-5,10-11H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 134017722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).