1-cyano-N-(1-methylcyclopropyl)methanesulfonamide

C6H10N2O2S — CID 115766890

IUPAC1-cyano-N-(1-methylcyclopropyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CC1
InChIInChI=1S/C6H10N2O2S/c1-6(2-3-6)8-11(9,10)5-4-7/h8H,2-3,5H2,1H3
InChIKeyISKABBPPLTYJFI-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.02
Rot. Bonds3

About 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide

1-cyano-N-(1-methylcyclopropyl)methanesulfonamide (PubChem CID 115766890) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-methylcyclopropyl)methanesulfonamide
PubChem CID115766890
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-cyano-N-(1-methylcyclopropyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CC1
InChIInChI=1S/C6H10N2O2S/c1-6(2-3-6)8-11(9,10)5-4-7/h8H,2-3,5H2,1H3
InChIKeyISKABBPPLTYJFI-UHFFFAOYSA-N
XLogP-0.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-Butylcyclopropanesulfonamide
CID 22499301
Ethanesulfonamide, N-(1,1-dimethylethyl)-
CID 3526384
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
CID 106213600
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106213610
N-(2-cyanopropan-2-yl)ethanesulfonamide
CID 15324815
2-Methyl-2-(n-butylsulfonamido)propionitrile
CID 13799776
N-(2-Cyano-2-propyl)-2-methylthioethylsulfonamide
CID 13799779
N-(2-Cyano-2-propyl)-2-methylsulfinylethylsulfonamide
CID 13799780
N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide
CID 58388273
N-(2-cyanopropan-2-yl)propane-2-sulfonamide
CID 61126679
N-(1-methylcyclopropyl)propane-2-sulfonamide
CID 115634612
N-(1-cyanocyclopropyl)propane-2-sulfonamide
CID 130929294

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide (CID 115766890) is 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide is CC1(NS(=O)(=O)CC#N)CC1.
What is the InChIKey of 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide?
The InChIKey is ISKABBPPLTYJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-6(2-3-6)8-11(9,10)5-4-7/h8H,2-3,5H2,1H3.
What are the key properties of 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide?
1-cyano-N-(1-methylcyclopropyl)methanesulfonamide has a molecular weight of 174.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methylcyclopropyl)methanesulfonamide is sourced from PubChem (CID 115766890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).