2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C16H24BrClN2OS — CID 120601915

IUPAC2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)(C)Sc2ccc(Br)cc2)CCN1.Cl
InChIInChI=1S/C16H23BrN2OS.ClH/c1-11-10-13(8-9-18-11)19-15(20)16(2,3)21-14-6-4-12(17)5-7-14;/h4-7,11,13,18H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyNGOSCNQFZPLVPX-UHFFFAOYSA-N
MW407.81 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120601915) has the molecular formula C16H24BrClN2OS and a molecular weight of 407.81 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120601915
Molecular FormulaC16H24BrClN2OS
Molecular Weight407.81 g/mol
Exact Mass406.05
IUPAC Name2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)(C)Sc2ccc(Br)cc2)CCN1.Cl
InChIInChI=1S/C16H23BrN2OS.ClH/c1-11-10-13(8-9-18-11)19-15(20)16(2,3)21-14-6-4-12(17)5-7-14;/h4-7,11,13,18H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyNGOSCNQFZPLVPX-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromophenyl)sulfanyl-2-methylpropanamide;hydrochloride
CID 119455541
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
2-(4-bromophenyl)-2-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390315
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(4-bromophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120948255
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
CID 169209379
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120601915) is 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CC(NC(=O)C(C)(C)Sc2ccc(Br)cc2)CCN1.Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is NGOSCNQFZPLVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2OS.ClH/c1-11-10-13(8-9-18-11)19-15(20)16(2,3)21-14-6-4-12(17)5-7-14;/h4-7,11,13,18H,8-10H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 407.81 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120601915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).