5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine

C12H26FNO2S — CID 107443768

IUPAC5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26FNO2S/c1-9(2)10(8-14)11(13)6-7-17(15,16)12(3,4)5/h9-11H,6-8,14H2,1-5H3
InChIKeyDSUYGBPWEOGCLL-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.16
Rot. Bonds6

About 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine

5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine (PubChem CID 107443768) has the molecular formula C12H26FNO2S and a molecular weight of 267.41 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
PubChem CID107443768
Molecular FormulaC12H26FNO2S
Molecular Weight267.41 g/mol
Exact Mass267.17
IUPAC Name5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26FNO2S/c1-9(2)10(8-14)11(13)6-7-17(15,16)12(3,4)5/h9-11H,6-8,14H2,1-5H3
InChIKeyDSUYGBPWEOGCLL-UHFFFAOYSA-N
XLogP2.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
[1,1-Dioxo-4-(2,2,2-trifluoroethyl)thian-3-yl]methanamine
CID 84802849
[1,1-Dioxo-3-(2,2,2-trifluoroethyl)thian-4-yl]methanamine
CID 84802850
6-Ethylsulfonyl-3-fluorohexan-1-amine
CID 104277112
3-Fluoro-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 104277205
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-amine
CID 105449123

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine?
The IUPAC name of 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine (CID 107443768) is 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine is CC(C)C(CN)C(F)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine?
The InChIKey is DSUYGBPWEOGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO2S/c1-9(2)10(8-14)11(13)6-7-17(15,16)12(3,4)5/h9-11H,6-8,14H2,1-5H3.
What are the key properties of 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine?
5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 107443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).