2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine

C14H21NOS — CID 64628119

IUPAC2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
SMILESCOc1ccccc1SC1CCCCCC1N
InChIInChI=1S/C14H21NOS/c1-16-12-8-5-6-10-14(12)17-13-9-4-2-3-7-11(13)15/h5-6,8,10-11,13H,2-4,7,9,15H2,1H3
InChIKeyAKTOYWUSFILSRQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.45
Rot. Bonds3

About 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine

2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine (PubChem CID 64628119) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
PubChem CID64628119
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
SMILESCOc1ccccc1SC1CCCCCC1N
InChIInChI=1S/C14H21NOS/c1-16-12-8-5-6-10-14(12)17-13-9-4-2-3-7-11(13)15/h5-6,8,10-11,13H,2-4,7,9,15H2,1H3
InChIKeyAKTOYWUSFILSRQ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 61290925
2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 61296540
2-(2-methoxyphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 63098270
2-(2-bromophenyl)sulfanylcyclohexan-1-amine
CID 64614964
2-(2-methoxyphenyl)sulfanyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64627123
2-(2-aminocyclohexyl)sulfanyl-6-methylaniline
CID 106440999
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
CID 64619325
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(2-cyclohexylsulfanylphenyl) acetate
CID 10514848
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
CID 64628532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine (CID 64628119) is 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine is COc1ccccc1SC1CCCCCC1N.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine?
The InChIKey is AKTOYWUSFILSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-16-12-8-5-6-10-14(12)17-13-9-4-2-3-7-11(13)15/h5-6,8,10-11,13H,2-4,7,9,15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine?
2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine is sourced from PubChem (CID 64628119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).