3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide

C14H19BrN2OS — CID 119425746

IUPAC3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESO=C(CCSc1ccccc1Br)NC1CCCNC1
InChIInChI=1S/C14H19BrN2OS/c15-12-5-1-2-6-13(12)19-9-7-14(18)17-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)
InChIKeyOAKXCBAHRRLCNK-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.80
Rot. Bonds5

About 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide

3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide (PubChem CID 119425746) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
PubChem CID119425746
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESO=C(CCSc1ccccc1Br)NC1CCCNC1
InChIInChI=1S/C14H19BrN2OS/c15-12-5-1-2-6-13(12)19-9-7-14(18)17-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)
InChIKeyOAKXCBAHRRLCNK-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452021
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
N-[4-(2-bromophenyl)sulfanylbutyl]piperidine-3-carboxamide
CID 119322135
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 119462366
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide (CID 119425746) is 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide is O=C(CCSc1ccccc1Br)NC1CCCNC1.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The InChIKey is OAKXCBAHRRLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-12-5-1-2-6-13(12)19-9-7-14(18)17-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18).
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide has a molecular weight of 343.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119425746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).