2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine

C14H27NOS — CID 64656857

IUPAC2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C14H27NOS/c1-3-15-13-9-8-11(2)10-14(13)17(16)12-6-4-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyCTRLSTKQMIWOTP-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine

2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 64656857) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID64656857
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C14H27NOS/c1-3-15-13-9-8-11(2)10-14(13)17(16)12-6-4-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyCTRLSTKQMIWOTP-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 64654215
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
N-ethyl-4-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64652163
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-cyclopentylsulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64692762
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420341

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine (CID 64656857) is 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1S(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is CTRLSTKQMIWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-3-15-13-9-8-11(2)10-14(13)17(16)12-6-4-5-7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine?
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).