3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C8H10N4O2S2 — CID 115609043

IUPAC3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESN#Cc1c(NS(N)(=O)=O)sc2c1CCNC2
InChIInChI=1S/C8H10N4O2S2/c9-3-6-5-1-2-11-4-7(5)15-8(6)12-16(10,13)14/h11-12H,1-2,4H2,(H2,10,13,14)
InChIKeyMBSVYVPXBWQQBQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP-0.12
Rot. Bonds2

About 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 115609043) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID115609043
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESN#Cc1c(NS(N)(=O)=O)sc2c1CCNC2
InChIInChI=1S/C8H10N4O2S2/c9-3-6-5-1-2-11-4-7(5)15-8(6)12-16(10,13)14/h11-12H,1-2,4H2,(H2,10,13,14)
InChIKeyMBSVYVPXBWQQBQ-UHFFFAOYSA-N
XLogP-0.12
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide
CID 64987841
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
CID 62047729
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 65418782
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 115609043) is 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is N#Cc1c(NS(N)(=O)=O)sc2c1CCNC2.
What is the InChIKey of 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is MBSVYVPXBWQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c9-3-6-5-1-2-11-4-7(5)15-8(6)12-16(10,13)14/h11-12H,1-2,4H2,(H2,10,13,14).
What are the key properties of 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 258.33 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 115609043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).