2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide

C14H18Cl2N2OS — CID 119427017

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCNC1
InChIInChI=1S/C14H18Cl2N2OS/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-7-10(15)4-5-12(13)16/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyPFBOFBQUZFJWML-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.34
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide

2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide (PubChem CID 119427017) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
PubChem CID119427017
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCNC1
InChIInChI=1S/C14H18Cl2N2OS/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-7-10(15)4-5-12(13)16/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyPFBOFBQUZFJWML-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
CID 128753184
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide (CID 119427017) is 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCNC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The InChIKey is PFBOFBQUZFJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-7-10(15)4-5-12(13)16/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide has a molecular weight of 333.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119427017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).