2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine

C9H16ClNO2S — CID 56795029

IUPAC2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(Cl)CN(C)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H16ClNO2S/c1-8(10)5-11(2)6-9-3-4-14(12,13)7-9/h9H,1,3-7H2,2H3
InChIKeyGNWYDJNQHLZHCH-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.11
Rot. Bonds4

About 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine

2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 56795029) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID56795029
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(Cl)CN(C)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H16ClNO2S/c1-8(10)5-11(2)6-9-3-4-14(12,13)7-9/h9H,1,3-7H2,2H3
InChIKeyGNWYDJNQHLZHCH-UHFFFAOYSA-N
XLogP1.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(((2-Bromoallyl)(methyl)amino)methyl)tetrahydrothiophene 1,1-dioxide
CID 56795028
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]prop-2-en-1-amine
CID 61058023
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2-dimethylprop-2-en-1-amine
CID 71930045
N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 78823523
2-bromo-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
CID 95635547
2-bromo-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
CID 95635548
2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
CID 95635549
2-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
CID 95635550
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 97089927
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 97089928
N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 131154565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine (CID 56795029) is 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine is C=C(Cl)CN(C)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is GNWYDJNQHLZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-8(10)5-11(2)6-9-3-4-14(12,13)7-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine?
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 237.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 56795029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).