N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride

C17H26ClN3O3S — CID 119450219

IUPACN-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCNC1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(19-15-9-10-18-13-15)8-5-14-3-6-16(7-4-14)24(22,23)20-11-1-2-12-20;/h3-4,6-7,15,18H,1-2,5,8-13H2,(H,19,21);1H
InChIKeyVVFKNMXEPPIPOQ-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.30
Rot. Bonds6

About N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride

N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 119450219) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID119450219
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCNC1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(19-15-9-10-18-13-15)8-5-14-3-6-16(7-4-14)24(22,23)20-11-1-2-12-20;/h3-4,6-7,15,18H,1-2,5,8-13H2,(H,19,21);1H
InChIKeyVVFKNMXEPPIPOQ-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride (CID 119450219) is N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride is Cl.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is VVFKNMXEPPIPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c21-17(19-15-9-10-18-13-15)8-5-14-3-6-16(7-4-14)24(22,23)20-11-1-2-12-20;/h3-4,6-7,15,18H,1-2,5,8-13H2,(H,19,21);1H.
What are the key properties of N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119450219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).