3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide

C11H20N2OS — CID 107296120

IUPAC3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCC1CCSC1
InChIInChI=1S/C11H20N2OS/c1-8-2-4-12-10(8)11(14)13-6-9-3-5-15-7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeySGPHXUBBFFZVQX-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.85
Rot. Bonds3

About 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide

3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 107296120) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID107296120
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCC1CCSC1
InChIInChI=1S/C11H20N2OS/c1-8-2-4-12-10(8)11(14)13-6-9-3-5-15-7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeySGPHXUBBFFZVQX-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779490
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777393
3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide (CID 107296120) is 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCC1CCSC1.
What is the InChIKey of 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is SGPHXUBBFFZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-2-4-12-10(8)11(14)13-6-9-3-5-15-7-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide?
3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107296120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).