N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide

C10H11FN2OS — CID 126770682

IUPACN-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C10H11FN2OS/c1-15-10(4-5-10)9(14)13-8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3,(H,12,13,14)
InChIKeySXUDBIWTWNOJJZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.05
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide

N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide (PubChem CID 126770682) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
PubChem CID126770682
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC NameN-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C10H11FN2OS/c1-15-10(4-5-10)9(14)13-8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3,(H,12,13,14)
InChIKeySXUDBIWTWNOJJZ-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
N'-(5-fluoro-2-pyridinyl)-1-methylcyclobutane-1-carbohydrazide
CID 137354234
1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
CID 131134616
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
tert-butyl 4-cyano-4-[(5-fluoro-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 59322301
2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide
CID 130840916
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(2S)-1-methylsulfanylbutan-2-yl]urea
CID 99600049

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide (CID 126770682) is N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide is CSC1(C(=O)Nc2ccc(F)cn2)CC1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide?
The InChIKey is SXUDBIWTWNOJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-15-10(4-5-10)9(14)13-8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 126770682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).