2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C14H21N3O3S — CID 61378831

IUPAC2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-15-13-6-4-3-5-12(13)14(18)16-11-7-9-17(10-8-11)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyKHNTZHKVTJBXBK-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.88
Rot. Bonds4

About 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 61378831) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID61378831
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-15-13-6-4-3-5-12(13)14(18)16-11-7-9-17(10-8-11)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyKHNTZHKVTJBXBK-UHFFFAOYSA-N
XLogP0.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 107074192
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 15951685
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 61378831) is 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CNc1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is KHNTZHKVTJBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-15-13-6-4-3-5-12(13)14(18)16-11-7-9-17(10-8-11)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61378831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).