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

C14H23NOS — CID 107782542

IUPAC4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
SMILESCc1occc1SCCNC1CCC(C)CC1
InChIInChI=1S/C14H23NOS/c1-11-3-5-13(6-4-11)15-8-10-17-14-7-9-16-12(14)2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyKXTDLECWMPECAH-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.85
Rot. Bonds5

About 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine

4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine (PubChem CID 107782542) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
PubChem CID107782542
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
SMILESCc1occc1SCCNC1CCC(C)CC1
InChIInChI=1S/C14H23NOS/c1-11-3-5-13(6-4-11)15-8-10-17-14-7-9-16-12(14)2/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyKXTDLECWMPECAH-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine (CID 107782542) is 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine is Cc1occc1SCCNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
The InChIKey is KXTDLECWMPECAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-3-5-13(6-4-11)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 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine?
4-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 4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine is sourced from PubChem (CID 107782542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).