N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H27ClN2O2S — CID 119776295

IUPACN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccccc1SCC(C)CNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-13(11-19-17(20)10-14-6-5-9-18-14)12-22-16-8-4-3-7-15(16)21-2;/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20);1H
InChIKeyXATYWRBUWHQTCG-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.10
Rot. Bonds8

About N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119776295) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119776295
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccccc1SCC(C)CNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-13(11-19-17(20)10-14-6-5-9-18-14)12-22-16-8-4-3-7-15(16)21-2;/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20);1H
InChIKeyXATYWRBUWHQTCG-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-(2-methyl-3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119750679
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119776281
1-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]cyclopentane-1-carboxamide
CID 119319307
N-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709381
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813356
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119776295) is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1ccccc1SCC(C)CNC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is XATYWRBUWHQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-13(11-19-17(20)10-14-6-5-9-18-14)12-22-16-8-4-3-7-15(16)21-2;/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119776295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).