4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

C19H29N3O3S — CID 119624651

IUPAC4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-20-26(24,25)18-7-4-15(5-8-18)6-9-19(23)22-12-10-17(11-13-22)21-14-16-2-3-16/h4-5,7-8,16-17,20-21H,2-3,6,9-14H2,1H3
InChIKeyCKDRLWAGRUOBIP-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.52
Rot. Bonds8

About 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (PubChem CID 119624651) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
PubChem CID119624651
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-20-26(24,25)18-7-4-15(5-8-18)6-9-19(23)22-12-10-17(11-13-22)21-14-16-2-3-16/h4-5,7-8,16-17,20-21H,2-3,6,9-14H2,1H3
InChIKeyCKDRLWAGRUOBIP-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119623061
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
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
3-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119623707
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 6457606

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (CID 119624651) is 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The InChIKey is CKDRLWAGRUOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20-26(24,25)18-7-4-15(5-8-18)6-9-19(23)22-12-10-17(11-13-22)21-14-16-2-3-16/h4-5,7-8,16-17,20-21H,2-3,6,9-14H2,1H3.
What are the key properties of 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 119624651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).