N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine

C8H14ClNO2S — CID 131154565

IUPACN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14ClNO2S/c1-7(9)5-10(2)8-3-4-13(11,12)6-8/h8H,1,3-6H2,2H3
InChIKeyLORKZMYIWPCYPT-UHFFFAOYSA-N
MW223.72 g/mol
LogP0.86
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 131154565) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID131154565
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC NameN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14ClNO2S/c1-7(9)5-10(2)8-3-4-13(11,12)6-8/h8H,1,3-6H2,2H3
InChIKeyLORKZMYIWPCYPT-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 52146666
(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
CID 70659127
1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
CID 70660669
N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 75791858
ethane;N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 144145285
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 56795029
N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 60683242
3-[(2-Chloroprop-2-en-1-yl)(prop-2-yn-1-yl)amino]-1lambda6-thiolane-1,1-dione
CID 71912013
N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 71967798
4-(2-Chloroprop-2-enyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 72004901
N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 75791838
N-(4-chlorobut-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 77051234

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 131154565) is N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine is C=C(Cl)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is LORKZMYIWPCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-7(9)5-10(2)8-3-4-13(11,12)6-8/h8H,1,3-6H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 223.72 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 131154565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).