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

C9H16ClNO2S — CID 95635549

IUPAC2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(Cl)CN(C)C[C@@H]1CCS(=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/t9-/m0/s1
InChIKeyGNWYDJNQHLZHCH-VIFPVBQESA-N
MW237.75 g/mol
LogP1.11
Rot. Bonds4

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

2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 95635549) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
PubChem CID95635549
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(Cl)CN(C)C[C@@H]1CCS(=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/t9-/m0/s1
InChIKeyGNWYDJNQHLZHCH-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine (CID 95635549) is 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine is C=C(Cl)CN(C)C[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is GNWYDJNQHLZHCH-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine?
2-chloro-N-[[(3S)-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-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 95635549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).