5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine

C12H27NO2S — CID 106727174

IUPAC5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
SMILESCCC(CCS(=O)(=O)C(C)(C)C)C(C)NC
InChIInChI=1S/C12H27NO2S/c1-7-11(10(2)13-6)8-9-16(14,15)12(3,4)5/h10-11,13H,7-9H2,1-6H3
InChIKeyVFHBIKVDFLNSKJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds6

About 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine

5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine (PubChem CID 106727174) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
PubChem CID106727174
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
SMILESCCC(CCS(=O)(=O)C(C)(C)C)C(C)NC
InChIInChI=1S/C12H27NO2S/c1-7-11(10(2)13-6)8-9-16(14,15)12(3,4)5/h10-11,13H,7-9H2,1-6H3
InChIKeyVFHBIKVDFLNSKJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
CID 106734343
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 106730297
4-bromo-1-tert-butylsulfonylhexane
CID 106729129
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
3,5-diethyl-N-methylheptan-2-amine
CID 82928045
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
CID 115889765
4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
CID 106727298

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine?
The IUPAC name of 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine (CID 106727174) is 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine is CCC(CCS(=O)(=O)C(C)(C)C)C(C)NC.
What is the InChIKey of 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine?
The InChIKey is VFHBIKVDFLNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-7-11(10(2)13-6)8-9-16(14,15)12(3,4)5/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine?
5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 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-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 106727174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).