4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

C18H27N3O3S — CID 55901390

IUPAC4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-7-4-15(5-8-17)6-9-18(22)21-12-10-20(11-13-21)14-16-2-3-16/h4-5,7-8,16,19H,2-3,6,9-14H2,1H3
InChIKeyWJEZYGZSZXDNBP-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.08
Rot. Bonds7

About 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (PubChem CID 55901390) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
PubChem CID55901390
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19-25(23,24)17-7-4-15(5-8-17)6-9-18(22)21-12-10-20(11-13-21)14-16-2-3-16/h4-5,7-8,16,19H,2-3,6,9-14H2,1H3
InChIKeyWJEZYGZSZXDNBP-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55987188
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 32646466
N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
CID 70730426
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 6457606
N-cyclopropyl-4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 92645794

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (CID 55901390) is 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The InChIKey is WJEZYGZSZXDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19-25(23,24)17-7-4-15(5-8-17)6-9-18(22)21-12-10-20(11-13-21)14-16-2-3-16/h4-5,7-8,16,19H,2-3,6,9-14H2,1H3.
What are the key properties of 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55901390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).