1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide

C13H24FNOS — CID 177157830

IUPAC1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)CSC(C)(C)C(C)NC(=O)C1(F)CC1
InChIInChI=1S/C13H24FNOS/c1-9(2)8-17-12(4,5)10(3)15-11(16)13(14)6-7-13/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyUJDRAKVZJXAHKE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.16
Rot. Bonds6

About 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide

1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide (PubChem CID 177157830) has the molecular formula C13H24FNOS and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide
PubChem CID177157830
Molecular FormulaC13H24FNOS
Molecular Weight261.41 g/mol
Exact Mass261.16
IUPAC Name1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)CSC(C)(C)C(C)NC(=O)C1(F)CC1
InChIInChI=1S/C13H24FNOS/c1-9(2)8-17-12(4,5)10(3)15-11(16)13(14)6-7-13/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyUJDRAKVZJXAHKE-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
CID 22752139
N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
CID 118606354
2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
CID 129132655
3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide
CID 134298581
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
CID 134298583
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
CID 134298584
2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide
CID 139505179
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide
CID 163939421
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
N-(3-amino-2,2-difluoropropyl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride
CID 120409905
N-(3-amino-2,2-difluoropropyl)-2-ethylsulfanyl-3-methylbutanamide
CID 120409906
3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide
CID 126771255

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide (CID 177157830) is 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide is CC(C)CSC(C)(C)C(C)NC(=O)C1(F)CC1.
What is the InChIKey of 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is UJDRAKVZJXAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNOS/c1-9(2)8-17-12(4,5)10(3)15-11(16)13(14)6-7-13/h9-10H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 177157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).