1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole

C9H15N3S — CID 23658977

IUPAC1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
SMILESCn1ccnc1SC[C@@H]1CCCN1
InChIInChI=1S/C9H15N3S/c1-12-6-5-11-9(12)13-7-8-3-2-4-10-8/h5-6,8,10H,2-4,7H2,1H3/t8-/m0/s1
InChIKeyMRZHGEQPLXESTJ-QMMMGPOBSA-N
MW197.31 g/mol
LogP1.26
Rot. Bonds3

About 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole

1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole (PubChem CID 23658977) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
PubChem CID23658977
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
SMILESCn1ccnc1SC[C@@H]1CCCN1
InChIInChI=1S/C9H15N3S/c1-12-6-5-11-9(12)13-7-8-3-2-4-10-8/h5-6,8,10H,2-4,7H2,1H3/t8-/m0/s1
InChIKeyMRZHGEQPLXESTJ-QMMMGPOBSA-N
XLogP1.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
2-methyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61686283
1-{[(2R)-pyrrolidin-2-yl]methyl}-1H-imidazole
CID 28063973
2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 4962504
1-methyl-2-(pyrrolidin-2-yl)-1H-imidazole
CID 64088347
1-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)butan-2-amine
CID 66228720
1-[(2S)-2-Pyrrolidinylmethyl]-1H-imidazole dihydrochloride
CID 137346961
(3R,4S)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-ium
CID 164673828
2-ethyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61685971
1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium
CID 11666491
(S)-1-(Pyrrolidin-2-ylmethyl)-1H-imidazole
CID 28063975
1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 45791094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The IUPAC name of 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole (CID 23658977) is 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole is Cn1ccnc1SC[C@@H]1CCCN1.
What is the InChIKey of 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The InChIKey is MRZHGEQPLXESTJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-6-5-11-9(12)13-7-8-3-2-4-10-8/h5-6,8,10H,2-4,7H2,1H3/t8-/m0/s1.
What are the key properties of 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole has a molecular weight of 197.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole is sourced from PubChem (CID 23658977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).