2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine

C16H24BrNOS — CID 64658970

IUPAC2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNOS/c1-3-12-8-9-15(18-4-2)16(10-12)20(19)14-7-5-6-13(17)11-14/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3
InChIKeyXDQANVRAPMAWRF-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine

2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine (PubChem CID 64658970) has the molecular formula C16H24BrNOS and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
PubChem CID64658970
Molecular FormulaC16H24BrNOS
Molecular Weight358.35 g/mol
Exact Mass357.08
IUPAC Name2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNOS/c1-3-12-8-9-15(18-4-2)16(10-12)20(19)14-7-5-6-13(17)11-14/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3
InChIKeyXDQANVRAPMAWRF-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 64657799
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
[4-ethyl-2-(3-methylphenyl)sulfinylcyclohexyl]methanamine
CID 81333024
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine (CID 64658970) is 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The InChIKey is XDQANVRAPMAWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNOS/c1-3-12-8-9-15(18-4-2)16(10-12)20(19)14-7-5-6-13(17)11-14/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine has a molecular weight of 358.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 64658970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).