N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide

C14H20N2OS — CID 107036333

IUPACN-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
SMILESCC1CN(C)CCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H20N2OS/c1-10-9-16(2)8-7-13(10)15-14(17)11-3-5-12(18)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,15,17)
InChIKeyBUDZLZWHTWWWAX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.05
Rot. Bonds2

About N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide

N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide (PubChem CID 107036333) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
PubChem CID107036333
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
SMILESCC1CN(C)CCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H20N2OS/c1-10-9-16(2)8-7-13(10)15-14(17)11-3-5-12(18)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,15,17)
InChIKeyBUDZLZWHTWWWAX-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 114505992
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114505989
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-sulfanylbenzamide
CID 107025894
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 115600288
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide (CID 107036333) is N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide is CC1CN(C)CCC1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide?
The InChIKey is BUDZLZWHTWWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-9-16(2)8-7-13(10)15-14(17)11-3-5-12(18)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide?
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide is sourced from PubChem (CID 107036333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).