N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide

C10H18N2OS — CID 130624332

IUPACN-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
SMILESCC1SCCC1NC(=O)C1CCNC1
InChIInChI=1S/C10H18N2OS/c1-7-9(3-5-14-7)12-10(13)8-2-4-11-6-8/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyMPRLLFAJUPNJSG-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.61
Rot. Bonds2

About N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide

N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 130624332) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
PubChem CID130624332
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
SMILESCC1SCCC1NC(=O)C1CCNC1
InChIInChI=1S/C10H18N2OS/c1-7-9(3-5-14-7)12-10(13)8-2-4-11-6-8/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyMPRLLFAJUPNJSG-UHFFFAOYSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-(4-methyloxolan-3-yl)pyrrolidine-3-carboxamide
CID 164659164
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
(3S)-N-(2-methyloxolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130747909
2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64817965
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 103811764
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
CID 130688496
N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756

Frequently Asked Questions

What is the IUPAC name of N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide (CID 130624332) is N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide is CC1SCCC1NC(=O)C1CCNC1.
What is the InChIKey of N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is MPRLLFAJUPNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-9(3-5-14-7)12-10(13)8-2-4-11-6-8/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide?
N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130624332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).