1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine

C17H29N3O2S — CID 42958012

IUPAC1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
SMILESCCCN(CCC)S(=O)(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O2S/c1-3-11-20(12-4-2)23(21,22)18-17-10-13-19(15-17)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3
InChIKeyURQHBPHPXBVHAU-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.22
Rot. Bonds9

About 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine

1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine (PubChem CID 42958012) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
PubChem CID42958012
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Name1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
SMILESCCCN(CCC)S(=O)(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O2S/c1-3-11-20(12-4-2)23(21,22)18-17-10-13-19(15-17)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3
InChIKeyURQHBPHPXBVHAU-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097329
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine?
The IUPAC name of 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine (CID 42958012) is 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine is CCCN(CCC)S(=O)(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine?
The InChIKey is URQHBPHPXBVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-3-11-20(12-4-2)23(21,22)18-17-10-13-19(15-17)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3.
What are the key properties of 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine?
1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine has a molecular weight of 339.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine is sourced from PubChem (CID 42958012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).