2-benzylsulfinyl-N-methylcyclooctan-1-amine

C16H25NOS — CID 64658739

IUPAC2-benzylsulfinyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C16H25NOS/c1-17-15-11-7-2-3-8-12-16(15)19(18)13-14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13H2,1H3
InChIKeyODOITYPTDCMUIC-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.25
Rot. Bonds4

About 2-benzylsulfinyl-N-methylcyclooctan-1-amine

2-benzylsulfinyl-N-methylcyclooctan-1-amine (PubChem CID 64658739) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-benzylsulfinyl-N-methylcyclooctan-1-amine
PubChem CID64658739
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-benzylsulfinyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C16H25NOS/c1-17-15-11-7-2-3-8-12-16(15)19(18)13-14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13H2,1H3
InChIKeyODOITYPTDCMUIC-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64657965
2-benzylsulfinylcyclohexan-1-amine
CID 64660290
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
CID 107760075
2-benzylsulfonyl-N-methylcyclohexan-1-amine
CID 64644766

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-methylcyclooctan-1-amine?
The IUPAC name of 2-benzylsulfinyl-N-methylcyclooctan-1-amine (CID 64658739) is 2-benzylsulfinyl-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-benzylsulfinyl-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-benzylsulfinyl-N-methylcyclooctan-1-amine is CNC1CCCCCCC1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-methylcyclooctan-1-amine?
The InChIKey is ODOITYPTDCMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-17-15-11-7-2-3-8-12-16(15)19(18)13-14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13H2,1H3.
What are the key properties of 2-benzylsulfinyl-N-methylcyclooctan-1-amine?
2-benzylsulfinyl-N-methylcyclooctan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-methylcyclooctan-1-amine is sourced from PubChem (CID 64658739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).