2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride

C16H24ClF2N3OS — CID 120775379

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1N.Cl
InChIInChI=1S/C16H23F2N3OS.ClH/c1-16(2)10-21(8-7-13(16)19)9-14(22)20-11-3-5-12(6-4-11)23-15(17)18;/h3-6,13,15H,7-10,19H2,1-2H3,(H,20,22);1H
InChIKeyKJSNAGAVKDXMHM-UHFFFAOYSA-N
MW379.90 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride (PubChem CID 120775379) has the molecular formula C16H24ClF2N3OS and a molecular weight of 379.90 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
PubChem CID120775379
Molecular FormulaC16H24ClF2N3OS
Molecular Weight379.90 g/mol
Exact Mass379.13
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1N.Cl
InChIInChI=1S/C16H23F2N3OS.ClH/c1-16(2)10-21(8-7-13(16)19)9-14(22)20-11-3-5-12(6-4-11)23-15(17)18;/h3-6,13,15H,7-10,19H2,1-2H3,(H,20,22);1H
InChIKeyKJSNAGAVKDXMHM-UHFFFAOYSA-N
XLogP3.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775661
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 120776678
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
CID 120774162
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 120774607
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125194
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 120761115
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 120776716

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride (CID 120775379) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride is CC1(C)CN(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The InChIKey is KJSNAGAVKDXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3OS.ClH/c1-16(2)10-21(8-7-13(16)19)9-14(22)20-11-3-5-12(6-4-11)23-15(17)18;/h3-6,13,15H,7-10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride has a molecular weight of 379.90 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120775379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).