N-(2-chloroprop-2-enyl)thiolan-3-amine

C7H12ClNS — CID 115891011

IUPACN-(2-chloroprop-2-enyl)thiolan-3-amine
SMILESC=C(Cl)CNC1CCSC1
InChIInChI=1S/C7H12ClNS/c1-6(8)4-9-7-2-3-10-5-7/h7,9H,1-5H2
InChIKeyZVIWFCHCJBXFJC-UHFFFAOYSA-N
MW177.70 g/mol
LogP1.83
Rot. Bonds3

About N-(2-chloroprop-2-enyl)thiolan-3-amine

N-(2-chloroprop-2-enyl)thiolan-3-amine (PubChem CID 115891011) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)thiolan-3-amine
PubChem CID115891011
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC NameN-(2-chloroprop-2-enyl)thiolan-3-amine
SMILESC=C(Cl)CNC1CCSC1
InChIInChI=1S/C7H12ClNS/c1-6(8)4-9-7-2-3-10-5-7/h7,9H,1-5H2
InChIKeyZVIWFCHCJBXFJC-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)thiolan-3-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)thiolan-3-amine (CID 115891011) is N-(2-chloroprop-2-enyl)thiolan-3-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)thiolan-3-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)thiolan-3-amine is C=C(Cl)CNC1CCSC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)thiolan-3-amine?
The InChIKey is ZVIWFCHCJBXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNS/c1-6(8)4-9-7-2-3-10-5-7/h7,9H,1-5H2.
What are the key properties of N-(2-chloroprop-2-enyl)thiolan-3-amine?
N-(2-chloroprop-2-enyl)thiolan-3-amine has a molecular weight of 177.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)thiolan-3-amine is sourced from PubChem (CID 115891011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).