N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine

C8H14ClNS — CID 106438169

IUPACN-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine
SMILESCC(=CCl)CNC1CCSC1
InChIInChI=1S/C8H14ClNS/c1-7(4-9)5-10-8-2-3-11-6-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeyPUESECVOZYUWJK-UHFFFAOYSA-N
MW191.73 g/mol
LogP2.22
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine

N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine (PubChem CID 106438169) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine
PubChem CID106438169
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine
SMILESCC(=CCl)CNC1CCSC1
InChIInChI=1S/C8H14ClNS/c1-7(4-9)5-10-8-2-3-11-6-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeyPUESECVOZYUWJK-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-(2-chloroprop-2-enyl)-2-methylthiolan-3-amine
CID 102672874
2-methyl-N-(2-methylprop-2-enyl)thiolan-3-amine
CID 102673487
N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine
CID 103062967
N-[(E)-4-chlorobut-2-enyl]thiolan-3-amine
CID 103062970
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-2-amine
CID 104864152
N-(2,3-dichloroprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 104867078
2,3-dichloro-N-(1-ethylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104869062
N-(2,3-dichloroprop-2-enyl)-4-ethylsulfanylbutan-2-amine
CID 104874897
N-(3-chloro-2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 106437279
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine (CID 106438169) is N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine is CC(=CCl)CNC1CCSC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine?
The InChIKey is PUESECVOZYUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNS/c1-7(4-9)5-10-8-2-3-11-6-8/h4,8,10H,2-3,5-6H2,1H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine?
N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine has a molecular weight of 191.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)thiolan-3-amine is sourced from PubChem (CID 106438169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).