N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine

C7H11Cl2NS — CID 103062967

IUPACN-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine
SMILESCl/C=C(/Cl)CNC1CCSC1
InChIInChI=1S/C7H11Cl2NS/c8-3-6(9)4-10-7-1-2-11-5-7/h3,7,10H,1-2,4-5H2/b6-3+
InChIKeyFYBPFWKHECXUCO-ZZXKWVIFSA-N
MW212.14 g/mol
LogP2.40
Rot. Bonds3

About N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine

N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine (PubChem CID 103062967) has the molecular formula C7H11Cl2NS and a molecular weight of 212.14 g/mol. Its IUPAC name is N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine
PubChem CID103062967
Molecular FormulaC7H11Cl2NS
Molecular Weight212.14 g/mol
Exact Mass211.00
IUPAC NameN-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine
SMILESCl/C=C(/Cl)CNC1CCSC1
InChIInChI=1S/C7H11Cl2NS/c8-3-6(9)4-10-7-1-2-11-5-7/h3,7,10H,1-2,4-5H2/b6-3+
InChIKeyFYBPFWKHECXUCO-ZZXKWVIFSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)thiolan-3-amine
CID 123615661
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
(E)-2,3-dichloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80584471
N-(2-chloroprop-2-enyl)-2-methylthiolan-3-amine
CID 102672874
N-[(E)-4-chlorobut-2-enyl]thiolan-3-amine
CID 103062970
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
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-2-amine
CID 104864152
N-(2,3-dichloroprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 104867078
2,3-dichloro-N-(1-ethylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104869062
N-(2,3-dichloroprop-2-enyl)-4-ethylsulfanylbutan-2-amine
CID 104874897

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine?
The IUPAC name of N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine (CID 103062967) is N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine.
What is the SMILES notation for N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine?
The canonical SMILES for N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine is Cl/C=C(/Cl)CNC1CCSC1.
What is the InChIKey of N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine?
The InChIKey is FYBPFWKHECXUCO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11Cl2NS/c8-3-6(9)4-10-7-1-2-11-5-7/h3,7,10H,1-2,4-5H2/b6-3+.
What are the key properties of N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine?
N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine has a molecular weight of 212.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine is sourced from PubChem (CID 103062967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).