3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine

C9H16ClNS — CID 106438186

IUPAC3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCSC1
InChIInChI=1S/C9H16ClNS/c1-8(4-10)5-11-6-9-2-3-12-7-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyBCDUIEDBUUOYNN-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.47
Rot. Bonds4

About 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine

3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 106438186) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID106438186
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCSC1
InChIInChI=1S/C9H16ClNS/c1-8(4-10)5-11-6-9-2-3-12-7-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyBCDUIEDBUUOYNN-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-chloro-N-[(2-methylthiolan-2-yl)methyl]but-2-en-1-amine
CID 81429428
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 106437541
3-chloro-2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 106437778
3-Chloro-2-methyl-N-[2-methyl-3-(methylsulfanyl)propyl]prop-2-en-1-amine
CID 106437779
3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 106437912
3-chloro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 106437918
3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
CID 106438078
3-chloro-2-methyl-N-(4-methylsulfanylbutyl)prop-2-en-1-amine
CID 106438105
3-chloro-2-methyl-N-(thian-4-ylmethyl)prop-2-en-1-amine
CID 106438106
3-chloro-N-(1,4-dithian-2-ylmethyl)-2-methylprop-2-en-1-amine
CID 106438108
N-(3-chloro-2-methylprop-2-enyl)-3-methylsulfanylbutan-1-amine
CID 106438114
3-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-methylprop-2-en-1-amine
CID 106438120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine (CID 106438186) is 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine is CC(=CCl)CNCC1CCSC1.
What is the InChIKey of 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is BCDUIEDBUUOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-8(4-10)5-11-6-9-2-3-12-7-9/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 205.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106438186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).