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

C8H14ClNS — CID 80584586

IUPAC2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCS1
InChIInChI=1S/C8H14ClNS/c1-7(9)5-10-6-8-3-2-4-11-8/h8,10H,1-6H2
InChIKeyZRWWZUYJOBQPBF-UHFFFAOYSA-N
MW191.73 g/mol
LogP2.22
Rot. Bonds4

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

2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 80584586) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID80584586
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCS1
InChIInChI=1S/C8H14ClNS/c1-7(9)5-10-6-8-3-2-4-11-8/h8,10H,1-6H2
InChIKeyZRWWZUYJOBQPBF-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine (CID 80584586) is 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine is C=C(Cl)CNCC1CCCS1.
What is the InChIKey of 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is ZRWWZUYJOBQPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNS/c1-7(9)5-10-6-8-3-2-4-11-8/h8,10H,1-6H2.
What are the key properties of 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 191.73 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 80584586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).