3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine

C14H20ClNO2S — CID 64658377

IUPAC3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-2-7-16-13-6-8-18-10-14(13)19(17)12-5-3-4-11(15)9-12/h3-5,9,13-14,16H,2,6-8,10H2,1H3
InChIKeyJKSGHYBCVGUTKF-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.60
Rot. Bonds5

About 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine

3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine (PubChem CID 64658377) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
PubChem CID64658377
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-2-7-16-13-6-8-18-10-14(13)19(17)12-5-3-4-11(15)9-12/h3-5,9,13-14,16H,2,6-8,10H2,1H3
InChIKeyJKSGHYBCVGUTKF-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(3-chlorophenyl)sulfinyloxan-4-amine
CID 64658960
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine (CID 64658377) is 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine?
The InChIKey is JKSGHYBCVGUTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-7-16-13-6-8-18-10-14(13)19(17)12-5-3-4-11(15)9-12/h3-5,9,13-14,16H,2,6-8,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine?
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine has a molecular weight of 301.84 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine is sourced from PubChem (CID 64658377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).