1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide

C7H12N2O2S2 — CID 131014899

IUPAC1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)CC#N)CS1
InChIInChI=1S/C7H12N2O2S2/c1-6-4-7(5-12-6)9-13(10,11)3-2-8/h6-7,9H,3-5H2,1H3
InChIKeyKZACTXJRJREUSE-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.32
Rot. Bonds3

About 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide

1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide (PubChem CID 131014899) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide
PubChem CID131014899
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)CC#N)CS1
InChIInChI=1S/C7H12N2O2S2/c1-6-4-7(5-12-6)9-13(10,11)3-2-8/h6-7,9H,3-5H2,1H3
InChIKeyKZACTXJRJREUSE-UHFFFAOYSA-N
XLogP0.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)methanesulfonamide
CID 25047953
3-Amino-2-methyl-1lambda6-thiolane-1,1-dione
CID 59657878
5-Methyl-1,1-dioxothiolan-3-amine
CID 59657972
N-(1,1-dioxothiolan-3-yl)ethanesulfonamide
CID 61355502
N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
CID 146644275
2-Ethyl-1,1-dioxothiolan-3-amine
CID 149781437
2-amino-N-(1,1-dioxothiolan-3-yl)ethanesulfonamide
CID 20113828
4-Methylsulfanyl-1,1-dioxothiolan-3-amine
CID 43827592
(4-Methylsulfanyl-1,1-dioxothiolan-3-yl)azanium
CID 43827594
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
(2R,3S)-2-methyl-1,1-dioxothiolan-3-amine
CID 55285059
3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 60910117

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide (CID 131014899) is 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide is CC1CC(NS(=O)(=O)CC#N)CS1.
What is the InChIKey of 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide?
The InChIKey is KZACTXJRJREUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-6-4-7(5-12-6)9-13(10,11)3-2-8/h6-7,9H,3-5H2,1H3.
What are the key properties of 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide?
1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide has a molecular weight of 220.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide is sourced from PubChem (CID 131014899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).