(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide

C12H22N2O2S — CID 61163362

IUPAC(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CCCN1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-16-7-6-14(10-4-8-17-9-10)12(15)11-3-2-5-13-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyIJKCJRZWZIUXQX-DTIOYNMSSA-N
MW258.39 g/mol
LogP0.72
Rot. Bonds5

About (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 61163362) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
PubChem CID61163362
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CCCN1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-16-7-6-14(10-4-8-17-9-10)12(15)11-3-2-5-13-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyIJKCJRZWZIUXQX-DTIOYNMSSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 63128378
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide (CID 61163362) is (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide is COCCN(C(=O)[C@@H]1CCCN1)C1CCSC1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is IJKCJRZWZIUXQX-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-16-7-6-14(10-4-8-17-9-10)12(15)11-3-2-5-13-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61163362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).