2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine

C14H23NOS — CID 114001035

IUPAC2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
SMILESCc1occc1SCCNC1CCCCC1C
InChIInChI=1S/C14H23NOS/c1-11-5-3-4-6-13(11)15-8-10-17-14-7-9-16-12(14)2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyFMSUQZQRGQEXHJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.85
Rot. Bonds5

About 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine

2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine (PubChem CID 114001035) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
PubChem CID114001035
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
SMILESCc1occc1SCCNC1CCCCC1C
InChIInChI=1S/C14H23NOS/c1-11-5-3-4-6-13(11)15-8-10-17-14-7-9-16-12(14)2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyFMSUQZQRGQEXHJ-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 107782542
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
CID 102925905
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
2-bromo-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782525
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine (CID 114001035) is 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine is Cc1occc1SCCNC1CCCCC1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The InChIKey is FMSUQZQRGQEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-5-3-4-6-13(11)15-8-10-17-14-7-9-16-12(14)2/h7,9,11,13,15H,3-6,8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine is sourced from PubChem (CID 114001035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).