2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide

C9H16FNOS — CID 130694647

IUPAC2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
SMILESCC(C)C(F)C(=O)NC1CCSC1
InChIInChI=1S/C9H16FNOS/c1-6(2)8(10)9(12)11-7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyBJEGFAKYPLMPPW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds3

About 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide

2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide (PubChem CID 130694647) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
PubChem CID130694647
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
SMILESCC(C)C(F)C(=O)NC1CCSC1
InChIInChI=1S/C9H16FNOS/c1-6(2)8(10)9(12)11-7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyBJEGFAKYPLMPPW-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
CID 103063076
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
3-methyl-2-sulfanyl-N-(thian-3-yl)butanamide
CID 107035774
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
CID 131242989
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide?
The IUPAC name of 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide (CID 130694647) is 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide is CC(C)C(F)C(=O)NC1CCSC1.
What is the InChIKey of 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide?
The InChIKey is BJEGFAKYPLMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-6(2)8(10)9(12)11-7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide?
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide has a molecular weight of 205.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 130694647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).