2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide

C10H20FNOS — CID 129132655

IUPAC2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
SMILESCC(C)CSCC(F)C(=O)NC(C)C
InChIInChI=1S/C10H20FNOS/c1-7(2)5-14-6-9(11)10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyVXHHLZHQJVDBMO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.24
Rot. Bonds6

About 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide

2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide (PubChem CID 129132655) has the molecular formula C10H20FNOS and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
PubChem CID129132655
Molecular FormulaC10H20FNOS
Molecular Weight221.34 g/mol
Exact Mass221.12
IUPAC Name2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
SMILESCC(C)CSCC(F)C(=O)NC(C)C
InChIInChI=1S/C10H20FNOS/c1-7(2)5-14-6-9(11)10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyVXHHLZHQJVDBMO-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
CID 2805079
S-Valyl-N-acetylcysteamin
CID 129888640
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
CID 22752139
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 58263712
S-(fluoromethyl) 2-acetamido-3-acetylsulfanylpropanethioate
CID 87392302
N-(2,2-dimethylpropyl)-3,3,3-trifluoro-2-(propylsulfanylmethyl)propanamide
CID 88902638
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118025117

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide (CID 129132655) is 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide is CC(C)CSCC(F)C(=O)NC(C)C.
What is the InChIKey of 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide?
The InChIKey is VXHHLZHQJVDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNOS/c1-7(2)5-14-6-9(11)10(13)12-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide?
2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide has a molecular weight of 221.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 129132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).