[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol

C10H16N2OS — CID 11435800

IUPAC[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol
SMILESCn1ccnc1SCC1(CO)CCC1
InChIInChI=1S/C10H16N2OS/c1-12-6-5-11-9(12)14-8-10(7-13)3-2-4-10/h5-6,13H,2-4,7-8H2,1H3
InChIKeyFSKBUMXDYMYOTI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.67
Rot. Bonds4

About [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol

[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol (PubChem CID 11435800) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol
PubChem CID11435800
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol
SMILESCn1ccnc1SCC1(CO)CCC1
InChIInChI=1S/C10H16N2OS/c1-12-6-5-11-9(12)14-8-10(7-13)3-2-4-10/h5-6,13H,2-4,7-8H2,1H3
InChIKeyFSKBUMXDYMYOTI-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol?
The IUPAC name of [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol (CID 11435800) is [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol is Cn1ccnc1SCC1(CO)CCC1.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol?
The InChIKey is FSKBUMXDYMYOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-6-5-11-9(12)14-8-10(7-13)3-2-4-10/h5-6,13H,2-4,7-8H2,1H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol?
[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol has a molecular weight of 212.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methanol is sourced from PubChem (CID 11435800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).