2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

C13H25NOS — CID 115708973

IUPAC2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NCCC1CCCO1
InChIInChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-9-8-11-5-4-10-15-11/h11-14H,2-10H2,1H3
InChIKeyWXAIOELOEZKLEF-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds5

About 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 115708973) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID115708973
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NCCC1CCCO1
InChIInChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-9-8-11-5-4-10-15-11/h11-14H,2-10H2,1H3
InChIKeyWXAIOELOEZKLEF-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81297392
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 79957673
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
CID 106496986
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 115708963
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
CID 104872112
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 115708973) is 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is CSC1CCCCC1NCCC1CCCO1.
What is the InChIKey of 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WXAIOELOEZKLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-9-8-11-5-4-10-15-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115708973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).