1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide

C7H10N2O2S2 — CID 103850456

IUPAC1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
SMILESC#CCSCCNS(=O)(=O)CC#N
InChIInChI=1S/C7H10N2O2S2/c1-2-5-12-6-4-9-13(10,11)7-3-8/h1,9H,4-7H2
InChIKeyFSNFRUXHGWAQBD-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.20
Rot. Bonds6

About 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide

1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide (PubChem CID 103850456) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
PubChem CID103850456
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
SMILESC#CCSCCNS(=O)(=O)CC#N
InChIInChI=1S/C7H10N2O2S2/c1-2-5-12-6-4-9-13(10,11)7-3-8/h1,9H,4-7H2
InChIKeyFSNFRUXHGWAQBD-UHFFFAOYSA-N
XLogP-0.20
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-prop-2-ynylsulfanylethylsulfamoyl)propanoic acid
CID 106426890
4-(2-prop-2-ynylsulfanylethylsulfamoyl)butanoic acid
CID 106426950
1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
CID 106430217
1-cyano-N-prop-2-ynoxymethanesulfonamide
CID 131222830
2-(4-aminophenoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanesulfonamide
CID 106425681
2-chloro-4-cyano-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 103989505
1-cyano-N-(3-methylsulfanylbutyl)methanesulfonamide
CID 115766864
4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
CID 106430208
3,5-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 103914933
2,5-dibromo-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 113240049
2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 115742156
2,2-dimethyl-4-(2-prop-2-ynylsulfanylethylamino)butanenitrile
CID 106428735

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide (CID 103850456) is 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide is C#CCSCCNS(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The InChIKey is FSNFRUXHGWAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-5-12-6-4-9-13(10,11)7-3-8/h1,9H,4-7H2.
What are the key properties of 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide has a molecular weight of 218.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide is sourced from PubChem (CID 103850456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).