N-(2-methylsulfanylcyclohexyl)oxepan-4-amine

C13H25NOS — CID 103894919

IUPACN-(2-methylsulfanylcyclohexyl)oxepan-4-amine
SMILESCSC1CCCCC1NC1CCCOCC1
InChIInChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-11-5-4-9-15-10-8-11/h11-14H,2-10H2,1H3
InChIKeyKIDIWQDAZCNQCG-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)oxepan-4-amine

N-(2-methylsulfanylcyclohexyl)oxepan-4-amine (PubChem CID 103894919) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)oxepan-4-amine
PubChem CID103894919
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-(2-methylsulfanylcyclohexyl)oxepan-4-amine
SMILESCSC1CCCCC1NC1CCCOCC1
InChIInChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-11-5-4-9-15-10-8-11/h11-14H,2-10H2,1H3
InChIKeyKIDIWQDAZCNQCG-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
CID 130622334
N-cyclooctyloxepan-4-amine
CID 65076823
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
N-cyclobutyloxepan-4-amine
CID 65079311
N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
CID 114122303
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-cyclopentyloxan-4-amine
CID 28694035
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
N-cyclododecyloxan-4-amine
CID 43609748
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)oxepan-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)oxepan-4-amine (CID 103894919) is N-(2-methylsulfanylcyclohexyl)oxepan-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)oxepan-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)oxepan-4-amine is CSC1CCCCC1NC1CCCOCC1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)oxepan-4-amine?
The InChIKey is KIDIWQDAZCNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-16-13-7-3-2-6-12(13)14-11-5-4-9-15-10-8-11/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)oxepan-4-amine?
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)oxepan-4-amine is sourced from PubChem (CID 103894919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).