2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide

C9H18N2O5S2 — CID 114231963

IUPAC2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O5S2/c1-10-9(12)7-18(15,16)5-3-11-8-2-4-17(13,14)6-8/h8,11H,2-7H2,1H3,(H,10,12)
InChIKeyXDKYEQLZVRCINL-UHFFFAOYSA-N
MW298.39 g/mol
LogP-2.08
Rot. Bonds6

About 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide

2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide (PubChem CID 114231963) has the molecular formula C9H18N2O5S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide
PubChem CID114231963
Molecular FormulaC9H18N2O5S2
Molecular Weight298.39 g/mol
Exact Mass298.07
IUPAC Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O5S2/c1-10-9(12)7-18(15,16)5-3-11-8-2-4-17(13,14)6-8/h8,11H,2-7H2,1H3,(H,10,12)
InChIKeyXDKYEQLZVRCINL-UHFFFAOYSA-N
XLogP-2.08
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
2-[2-(cyclopentylamino)ethylsulfonyl]-N-propan-2-ylacetamide
CID 114232564
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide (CID 114231963) is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide is CNC(=O)CS(=O)(=O)CCNC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide?
The InChIKey is XDKYEQLZVRCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S2/c1-10-9(12)7-18(15,16)5-3-11-8-2-4-17(13,14)6-8/h8,11H,2-7H2,1H3,(H,10,12).
What are the key properties of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide?
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of -2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide is sourced from PubChem (CID 114231963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).