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

C8H14ClNS — CID 107132413

IUPAC2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCSC1
InChIInChI=1S/C8H14ClNS/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyNUVPOKJRVYRONL-UHFFFAOYSA-N
MW191.73 g/mol
LogP2.08
Rot. Bonds4

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

2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 107132413) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID107132413
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCSC1
InChIInChI=1S/C8H14ClNS/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyNUVPOKJRVYRONL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]prop-2-en-1-amine
CID 61058023
2-Chloro-N-[2-methyl-3-(methylsulfanyl)propyl]prop-2-en-1-amine
CID 63964949
2-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80584586
2-chloro-N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 80722599
3-chloro-2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
CID 106438186
N-(thiolan-3-ylmethyl)prop-2-en-1-amine
CID 107131108
2-methyl-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
CID 107132498
(E)-2,3-dichloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
CID 107295734
(E)-4-chloro-N-(thiolan-3-ylmethyl)but-2-en-1-amine
CID 107295897
(E)-3-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine
CID 107900431
N-(2-chloroprop-2-enyl)thiolan-3-amine
CID 115891011
N-(2-chloroprop-2-enyl)-5-methylthiolan-3-amine
CID 116024518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine (CID 107132413) is 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine is C=C(Cl)CNCC1CCSC1.
What is the InChIKey of 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is NUVPOKJRVYRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNS/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2.
What are the key properties of 2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
2-chloro-N-(thiolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 191.73 g/mol, XLogP of 2.08, 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-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 107132413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).