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

C7H12ClNS — CID 107900410

IUPACN-[(E)-3-chloroprop-2-enyl]thiolan-3-amine
SMILESCl/C=C/CNC1CCSC1
InChIInChI=1S/C7H12ClNS/c8-3-1-4-9-7-2-5-10-6-7/h1,3,7,9H,2,4-6H2/b3-1+
InChIKeyDZIWPMCHDWJAEK-HNQUOIGGSA-N
MW177.70 g/mol
LogP1.83
Rot. Bonds3

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

N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine (PubChem CID 107900410) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]thiolan-3-amine
PubChem CID107900410
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC NameN-[(E)-3-chloroprop-2-enyl]thiolan-3-amine
SMILESCl/C=C/CNC1CCSC1
InChIInChI=1S/C7H12ClNS/c8-3-1-4-9-7-2-5-10-6-7/h1,3,7,9H,2,4-6H2/b3-1+
InChIKeyDZIWPMCHDWJAEK-HNQUOIGGSA-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

Analyze N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine (CID 107900410) is N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine is Cl/C=C/CNC1CCSC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine?
The InChIKey is DZIWPMCHDWJAEK-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H12ClNS/c8-3-1-4-9-7-2-5-10-6-7/h1,3,7,9H,2,4-6H2/b3-1+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]thiolan-3-amine?
N-[(E)-3-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-[(E)-3-chloroprop-2-enyl]thiolan-3-amine is sourced from PubChem (CID 107900410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).