2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide

C10H18FNOS — CID 130165160

IUPAC2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCSCC1
InChIInChI=1S/C10H18FNOS/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWLXQSJWZBIDUER-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.99
Rot. Bonds3

About 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide

2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide (PubChem CID 130165160) has the molecular formula C10H18FNOS and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide
PubChem CID130165160
Molecular FormulaC10H18FNOS
Molecular Weight219.32 g/mol
Exact Mass219.11
IUPAC Name2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCSCC1
InChIInChI=1S/C10H18FNOS/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWLXQSJWZBIDUER-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
CID 118606354
2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
CID 129132655
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
CID 134298583
ethane;N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 144157008
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 75506732
2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78761028
(2R)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933849
(2S)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933850
(2S)-2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 97831902
(2R)-2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 97831904

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide (CID 130165160) is 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide is CC(C)(F)C(=O)NCC1CCSCC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide?
The InChIKey is WLXQSJWZBIDUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNOS/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide has a molecular weight of 219.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide is sourced from PubChem (CID 130165160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).