N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide

C8H16N2OS — CID 115604459

IUPACN-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide
SMILESCSCCNC(=O)N1CCCC1
InChIInChI=1S/C8H16N2OS/c1-12-7-4-9-8(11)10-5-2-3-6-10/h2-7H2,1H3,(H,9,11)
InChIKeyDRAIKTQPQUDOAQ-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.15
Rot. Bonds3

About N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide

N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide (PubChem CID 115604459) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide
PubChem CID115604459
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide
SMILESCSCCNC(=O)N1CCCC1
InChIInChI=1S/C8H16N2OS/c1-12-7-4-9-8(11)10-5-2-3-6-10/h2-7H2,1H3,(H,9,11)
InChIKeyDRAIKTQPQUDOAQ-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(3-methylsulfanylpropyl)urea
CID 172436164
1-Pyrrolidinecarboxamide, N-butyl-
CID 11789651
3,3-Dimethyl-1-[(thiolan-3-yl)methyl]urea
CID 107295546
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
N-(2-ethylsulfonylethyl)pyrrolidine-1-carboxamide
CID 60235265
N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-1-carboxamide
CID 99773476
1-(4-Pyrrolidin-1-ylbutyl)-3-(thian-3-yl)urea
CID 71862998
N-methyl-3-sulfanylpyrrolidine-1-carboxamide
CID 19751238
N-propylpyrrolidine-1-carboxamide
CID 23566962
1-Propyl-3-(4-pyrrolidin-1-ylbutyl)urea
CID 53768159
1-Methyl-3-(4-pyrrolidin-1-ylbutyl)urea
CID 53786762
1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
CID 67582216

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide (CID 115604459) is N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide is CSCCNC(=O)N1CCCC1.
What is the InChIKey of N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide?
The InChIKey is DRAIKTQPQUDOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-12-7-4-9-8(11)10-5-2-3-6-10/h2-7H2,1H3,(H,9,11).
What are the key properties of N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide?
N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115604459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).