1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine

C13H20ClNOS — CID 64660006

IUPAC1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(CC)CS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNOS/c1-3-9-15-12(4-2)10-17(16)13-7-5-11(14)6-8-13/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyTVWVIQSQERPDOY-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine

1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine (PubChem CID 64660006) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
PubChem CID64660006
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(CC)CS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNOS/c1-3-9-15-12(4-2)10-17(16)13-7-5-11(14)6-8-13/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyTVWVIQSQERPDOY-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
1-[(4-chlorophenyl)methylsulfinyl]-N-propylbutan-2-amine
CID 114792213
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
CID 114792258
2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64650987
1-chloro-4-(2-isothiocyanatobutylsulfinyl)benzene
CID 142725934
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479211

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine (CID 64660006) is 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine is CCCNC(CC)CS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine?
The InChIKey is TVWVIQSQERPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-3-9-15-12(4-2)10-17(16)13-7-5-11(14)6-8-13/h5-8,12,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine?
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64660006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).