N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine

C8H15Cl2NOS — CID 104866906

IUPACN-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine
SMILESCC(CCS(C)=O)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NOS/c1-7(3-4-13(2)12)11-6-8(10)5-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyBUWBWQDLWIJDBT-UHFFFAOYSA-N
MW244.19 g/mol
LogP2.05
Rot. Bonds6

About N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine

N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine (PubChem CID 104866906) has the molecular formula C8H15Cl2NOS and a molecular weight of 244.19 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine
PubChem CID104866906
Molecular FormulaC8H15Cl2NOS
Molecular Weight244.19 g/mol
Exact Mass243.03
IUPAC NameN-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine
SMILESCC(CCS(C)=O)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NOS/c1-7(3-4-13(2)12)11-6-8(10)5-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyBUWBWQDLWIJDBT-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 79167160
N-(2,3-dichloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 79167918
2,3-dichloro-N-(1-methylsulfonylpropan-2-yl)prop-2-en-1-amine
CID 79168127
2,3-dichloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 79168225
N-(2,3-dichloroprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 79168391
2,3-dichloro-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104863140
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-2-amine
CID 104864152
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 104864624
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)-4-methylsulfanylbutan-1-amine
CID 104866017

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine (CID 104866906) is N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine is CC(CCS(C)=O)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine?
The InChIKey is BUWBWQDLWIJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NOS/c1-7(3-4-13(2)12)11-6-8(10)5-9/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine?
N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine has a molecular weight of 244.19 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-4-methylsulfinylbutan-2-amine is sourced from PubChem (CID 104866906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).