2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine

C6H11Cl2NOS — CID 104864624

IUPAC2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
SMILESCS(=O)CCNCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NOS/c1-11(10)3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3
InChIKeySRPSRWKOOLSMGN-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.27
Rot. Bonds5

About 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine

2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine (PubChem CID 104864624) has the molecular formula C6H11Cl2NOS and a molecular weight of 216.13 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
PubChem CID104864624
Molecular FormulaC6H11Cl2NOS
Molecular Weight216.13 g/mol
Exact Mass214.99
IUPAC Name2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
SMILESCS(=O)CCNCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NOS/c1-11(10)3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3
InChIKeySRPSRWKOOLSMGN-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methylsulfonylethyl)prop-2-en-1-amine
CID 60918912
2,3-dichloro-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 79167160
2,3-dichloro-N-(2-methylsulfonylethyl)prop-2-en-1-amine
CID 79167634
2,3-dichloro-N-(1-methylsulfonylpropan-2-yl)prop-2-en-1-amine
CID 79168127
2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 79168224
2,3-dichloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 79168225
2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
CID 104861423
2,3-dichloro-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104863140
2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine
CID 104865577
2,3-dichloro-N-(1-methylsulfinylpropan-2-yl)prop-2-en-1-amine
CID 104865851
2,3-dichloro-N-(3-methylsulfinylpropyl)prop-2-en-1-amine
CID 104866015
N-(2,3-dichloroprop-2-enyl)-3-methylsulfinylbutan-1-amine
CID 104866533

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine (CID 104864624) is 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine is CS(=O)CCNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine?
The InChIKey is SRPSRWKOOLSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NOS/c1-11(10)3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3.
What are the key properties of 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine?
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine has a molecular weight of 216.13 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine is sourced from PubChem (CID 104864624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).