N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride

C17H27ClN2O3S2 — CID 119387404

IUPACN-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C17H26N2O3S2.ClH/c1-3-12-24(21,22)16-7-5-4-6-15(16)23-13(2)17(20)19-14-8-10-18-11-9-14;/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20);1H
InChIKeyRRKOOLAOGJSDFW-UHFFFAOYSA-N
MW407.00 g/mol
LogP2.64
Rot. Bonds7

About N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride

N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119387404) has the molecular formula C17H27ClN2O3S2 and a molecular weight of 407.00 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119387404
Molecular FormulaC17H27ClN2O3S2
Molecular Weight407.00 g/mol
Exact Mass406.12
IUPAC NameN-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C17H26N2O3S2.ClH/c1-3-12-24(21,22)16-7-5-4-6-15(16)23-13(2)17(20)19-14-8-10-18-11-9-14;/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20);1H
InChIKeyRRKOOLAOGJSDFW-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propylsulfonylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511529
N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119442348
N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119522650
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119627451
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
N-piperidin-4-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119387503

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride (CID 119387404) is N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride is CCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is RRKOOLAOGJSDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2.ClH/c1-3-12-24(21,22)16-7-5-4-6-15(16)23-13(2)17(20)19-14-8-10-18-11-9-14;/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 407.00 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).