6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine

C14H21Cl2NOS — CID 106808043

IUPAC6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NOS/c1-3-11(17-4-2)6-5-9-19(18)12-7-8-13(15)14(16)10-12/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyDVJHJUKENIHTLB-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.27
Rot. Bonds8

About 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine

6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine (PubChem CID 106808043) has the molecular formula C14H21Cl2NOS and a molecular weight of 322.30 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
PubChem CID106808043
Molecular FormulaC14H21Cl2NOS
Molecular Weight322.30 g/mol
Exact Mass321.07
IUPAC Name6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NOS/c1-3-11(17-4-2)6-5-9-19(18)12-7-8-13(15)14(16)10-12/h7-8,10-11,17H,3-6,9H2,1-2H3
InChIKeyDVJHJUKENIHTLB-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine (CID 106808043) is 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine is CCNC(CC)CCCS(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine?
The InChIKey is DVJHJUKENIHTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NOS/c1-3-11(17-4-2)6-5-9-19(18)12-7-8-13(15)14(16)10-12/h7-8,10-11,17H,3-6,9H2,1-2H3.
What are the key properties of 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine?
6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine has a molecular weight of 322.30 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine is sourced from PubChem (CID 106808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).