2-(cyclopropylmethylsulfanylmethyl)furan

C9H12OS — CID 131208712

IUPAC2-(cyclopropylmethylsulfanylmethyl)furan
SMILESc1coc(CSCC2CC2)c1
InChIInChI=1S/C9H12OS/c1-2-9(10-5-1)7-11-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeySYSGUGHURHAMIY-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.92
Rot. Bonds4

About 2-(cyclopropylmethylsulfanylmethyl)furan

2-(cyclopropylmethylsulfanylmethyl)furan (PubChem CID 131208712) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanylmethyl)furan
PubChem CID131208712
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-(cyclopropylmethylsulfanylmethyl)furan
SMILESc1coc(CSCC2CC2)c1
InChIInChI=1S/C9H12OS/c1-2-9(10-5-1)7-11-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeySYSGUGHURHAMIY-UHFFFAOYSA-N
XLogP2.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethylsulfanylmethyl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 71801058
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 71801069
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
CID 71801062
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71801076
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan
CID 79326319
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanylmethyl)furan
CID 79326430
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanylmethyl)furan?
The IUPAC name of 2-(cyclopropylmethylsulfanylmethyl)furan (CID 131208712) is 2-(cyclopropylmethylsulfanylmethyl)furan.
What is the SMILES notation for 2-(cyclopropylmethylsulfanylmethyl)furan?
The canonical SMILES for 2-(cyclopropylmethylsulfanylmethyl)furan is c1coc(CSCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylsulfanylmethyl)furan?
The InChIKey is SYSGUGHURHAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-9(10-5-1)7-11-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(cyclopropylmethylsulfanylmethyl)furan?
2-(cyclopropylmethylsulfanylmethyl)furan has a molecular weight of 168.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanylmethyl)furan is sourced from PubChem (CID 131208712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).