N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide

C11H22N2O2S — CID 106310786

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCSCCCO
InChIInChI=1S/C11H22N2O2S/c14-6-2-7-16-8-5-13-11(15)9-10-3-1-4-12-10/h10,12,14H,1-9H2,(H,13,15)
InChIKeySJCBBMMZEZTFNV-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.36
Rot. Bonds8

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 106310786) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID106310786
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCSCCCO
InChIInChI=1S/C11H22N2O2S/c14-6-2-7-16-8-5-13-11(15)9-10-3-1-4-12-10/h10,12,14H,1-9H2,(H,13,15)
InChIKeySJCBBMMZEZTFNV-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106309461
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103950540
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 106310786) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is SJCBBMMZEZTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-6-2-7-16-8-5-13-11(15)9-10-3-1-4-12-10/h10,12,14H,1-9H2,(H,13,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 246.38 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 106310786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).