3-(4-chlorophenyl)sulfinylpropan-1-amine

C9H12ClNOS — CID 58684884

IUPAC3-(4-chlorophenyl)sulfinylpropan-1-amine
SMILESNCCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyDVZUAYVWEAEMLU-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.80
Rot. Bonds4

About 3-(4-chlorophenyl)sulfinylpropan-1-amine

3-(4-chlorophenyl)sulfinylpropan-1-amine (PubChem CID 58684884) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfinylpropan-1-amine
PubChem CID58684884
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name3-(4-chlorophenyl)sulfinylpropan-1-amine
SMILESNCCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyDVZUAYVWEAEMLU-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
5-(3,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328253
5-(4-bromophenyl)sulfinylpentan-1-amine
CID 81328453
2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
3-(4-chlorophenyl)sulfinylpropanenitrile
CID 64691273
4-[3-(4-chlorophenyl)sulfinylpropoxy]benzonitrile
CID 64690860
[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328600
ethyl 2-[4-[3-(4-chlorophenyl)sulfinylpropyl]phenyl]acetate
CID 14442081
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
CID 13021630
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfinylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfinylpropan-1-amine (CID 58684884) is 3-(4-chlorophenyl)sulfinylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfinylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfinylpropan-1-amine is NCCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfinylpropan-1-amine?
The InChIKey is DVZUAYVWEAEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2.
What are the key properties of 3-(4-chlorophenyl)sulfinylpropan-1-amine?
3-(4-chlorophenyl)sulfinylpropan-1-amine has a molecular weight of 217.72 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfinylpropan-1-amine is sourced from PubChem (CID 58684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).