5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide

C17H25N3O3S — CID 119987776

IUPAC5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(N)=O
InChIInChI=1S/C17H25N3O3S/c1-12-2-5-15(10-16(12)17(18)21)24(22,23)20-8-6-14(7-9-20)19-11-13-3-4-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3,(H2,18,21)
InChIKeyHSPPHCARLCXBSQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.25
Rot. Bonds6

About 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide

5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide (PubChem CID 119987776) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
PubChem CID119987776
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(N)=O
InChIInChI=1S/C17H25N3O3S/c1-12-2-5-15(10-16(12)17(18)21)24(22,23)20-8-6-14(7-9-20)19-11-13-3-4-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3,(H2,18,21)
InChIKeyHSPPHCARLCXBSQ-UHFFFAOYSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
1-[6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119987858
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
methyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 119987827
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
N-(cyclopropylmethyl)-1-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987781

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide?
The IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide (CID 119987776) is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide.
What is the SMILES notation for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide?
The canonical SMILES for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(N)=O.
What is the InChIKey of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide?
The InChIKey is HSPPHCARLCXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-2-5-15(10-16(12)17(18)21)24(22,23)20-8-6-14(7-9-20)19-11-13-3-4-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3,(H2,18,21).
What are the key properties of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide?
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide has a molecular weight of 351.47 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide is sourced from PubChem (CID 119987776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).