4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine

C15H25NOS — CID 114001243

IUPAC4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-4-8-16-13-6-5-11(2)10-15(13)18-14-7-9-17-12(14)3/h7,9,11,13,15-16H,4-6,8,10H2,1-3H3
InChIKeyKNAIWKFKGFLMGJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.24
Rot. Bonds5

About 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine

4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine (PubChem CID 114001243) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
PubChem CID114001243
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-4-8-16-13-6-5-11(2)10-15(13)18-14-7-9-17-12(14)3/h7,9,11,13,15-16H,4-6,8,10H2,1-3H3
InChIKeyKNAIWKFKGFLMGJ-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 107784358
N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
CID 107784243
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64633026
4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 107782542
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 114001035
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784188
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine (CID 114001243) is 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Sc1ccoc1C.
What is the InChIKey of 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is KNAIWKFKGFLMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-8-16-13-6-5-11(2)10-15(13)18-14-7-9-17-12(14)3/h7,9,11,13,15-16H,4-6,8,10H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine?
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114001243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).