3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine

C7H14ClNOS — CID 58684343

IUPAC3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
SMILESC/C(Cl)=C/CS(=O)CCCN
InChIInChI=1S/C7H14ClNOS/c1-7(8)3-6-11(10)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-
InChIKeyVYKDWONBKXULBC-CLTKARDFSA-N
MW195.72 g/mol
LogP1.23
Rot. Bonds5

About 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine

3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine (PubChem CID 58684343) has the molecular formula C7H14ClNOS and a molecular weight of 195.72 g/mol. Its IUPAC name is 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
PubChem CID58684343
Molecular FormulaC7H14ClNOS
Molecular Weight195.72 g/mol
Exact Mass195.05
IUPAC Name3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
SMILESC/C(Cl)=C/CS(=O)CCCN
InChIInChI=1S/C7H14ClNOS/c1-7(8)3-6-11(10)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-
InChIKeyVYKDWONBKXULBC-CLTKARDFSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine
CID 58684166
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
3-(2-Chloroprop-2-enylsulfonyl)propan-1-amine
CID 58684526

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine (CID 58684343) is 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine is C/C(Cl)=C/CS(=O)CCCN.
What is the InChIKey of 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine?
The InChIKey is VYKDWONBKXULBC-CLTKARDFSA-N. The full InChI is InChI=1S/C7H14ClNOS/c1-7(8)3-6-11(10)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-.
What are the key properties of 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine?
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine has a molecular weight of 195.72 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).