(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide

C11H20N2OS — CID 103796007

IUPAC(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCSCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2OS/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m0/s1
InChIKeyJRXZVCQFCDJKGU-JTQLQIEISA-N
MW228.36 g/mol
LogP1.00
Rot. Bonds3

About (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 103796007) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID103796007
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCSCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2OS/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m0/s1
InChIKeyJRXZVCQFCDJKGU-JTQLQIEISA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103797025
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide (CID 103796007) is (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCSCC1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JRXZVCQFCDJKGU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103796007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).