2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole

C8H13N3S — CID 107781577

IUPAC2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
SMILESc1c[nH]c(SC[C@H]2CCCN2)n1
InChIInChI=1S/C8H13N3S/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2,(H,10,11)/t7-/m1/s1
InChIKeyFYNOJXDXDXWPTP-SSDOTTSWSA-N
MW183.28 g/mol
LogP1.25
Rot. Bonds3

About 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole

2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole (PubChem CID 107781577) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
PubChem CID107781577
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
SMILESc1c[nH]c(SC[C@H]2CCCN2)n1
InChIInChI=1S/C8H13N3S/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2,(H,10,11)/t7-/m1/s1
InChIKeyFYNOJXDXDXWPTP-SSDOTTSWSA-N
XLogP1.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639435
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634461
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
CID 72716573
4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 91439730

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole?
The IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole (CID 107781577) is 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole.
What is the SMILES notation for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole?
The canonical SMILES for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole is c1c[nH]c(SC[C@H]2CCCN2)n1.
What is the InChIKey of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole?
The InChIKey is FYNOJXDXDXWPTP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole?
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole has a molecular weight of 183.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole is sourced from PubChem (CID 107781577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).