N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide

C10H20N2O2S — CID 103950540

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCSCCCO)C1CCCN1
InChIInChI=1S/C10H20N2O2S/c13-6-2-7-15-8-5-12-10(14)9-3-1-4-11-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyPLWYQZFRIAHNMG-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.03
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103950540) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103950540
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCSCCCO)C1CCCN1
InChIInChI=1S/C10H20N2O2S/c13-6-2-7-15-8-5-12-10(14)9-3-1-4-11-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyPLWYQZFRIAHNMG-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.03
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

(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
methyl 2-[2-(pyrrolidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320156
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106310786
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366
methyl 2-[2-(piperidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320148
(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide
CID 103810053
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-propylpyrrolidine-2-carboxamide
CID 4984185

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide (CID 103950540) is N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCSCCCO)C1CCCN1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PLWYQZFRIAHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c13-6-2-7-15-8-5-12-10(14)9-3-1-4-11-9/h9,11,13H,1-8H2,(H,12,14).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 232.35 g/mol, XLogP of -0.03, 7 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103950540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).