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

C12H22N2OS — CID 80600883

IUPAC2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS/c1-9-11(5-6-13-9)12(15)14-8-10-4-2-3-7-16-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyJOMJXHOAWHNZHP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds3

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

2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 80600883) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID80600883
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC1CCCCS1
InChIInChI=1S/C12H22N2OS/c1-9-11(5-6-13-9)12(15)14-8-10-4-2-3-7-16-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyJOMJXHOAWHNZHP-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thian-2-ylmethyl)piperidine-2-carboxamide
CID 80599886
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
N-(thiolan-2-ylmethyl)azepane-2-carboxamide
CID 80584708
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79383628
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79388592
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
2-amino-N-(thiolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119790659
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide (CID 80600883) is 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCC1CCCCS1.
What is the InChIKey of 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JOMJXHOAWHNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-11(5-6-13-9)12(15)14-8-10-4-2-3-7-16-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide?
2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 80600883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).