1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

C6H7N3O2S2 — CID 63823756

IUPAC1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1cscn1
InChIInChI=1S/C6H7N3O2S2/c7-1-2-13(10,11)9-3-6-4-12-5-8-6/h4-5,9H,2-3H2
InChIKeyICYHAAFTASQOBO-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.09
Rot. Bonds4

About 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (PubChem CID 63823756) has the molecular formula C6H7N3O2S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
PubChem CID63823756
Molecular FormulaC6H7N3O2S2
Molecular Weight217.27 g/mol
Exact Mass217.00
IUPAC Name1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1cscn1
InChIInChI=1S/C6H7N3O2S2/c7-1-2-13(10,11)9-3-6-4-12-5-8-6/h4-5,9H,2-3H2
InChIKeyICYHAAFTASQOBO-UHFFFAOYSA-N
XLogP0.09
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 122558057
3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
CID 79586158
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
CID 63824471
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64529391
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (CID 63823756) is 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide is N#CCS(=O)(=O)NCc1cscn1.
What is the InChIKey of 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The InChIKey is ICYHAAFTASQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S2/c7-1-2-13(10,11)9-3-6-4-12-5-8-6/h4-5,9H,2-3H2.
What are the key properties of 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide has a molecular weight of 217.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63823756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).