3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine

C11H25NO2S — CID 103864804

IUPAC3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
SMILESCCC(C)(CC)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-11(5,7-2)12-8-9-15(13,14)10(3)4/h10,12H,6-9H2,1-5H3
InChIKeyHCVNDEXTMLMWHT-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds7

About 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine

3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine (PubChem CID 103864804) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
PubChem CID103864804
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
SMILESCCC(C)(CC)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-11(5,7-2)12-8-9-15(13,14)10(3)4/h10,12H,6-9H2,1-5H3
InChIKeyHCVNDEXTMLMWHT-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 113251242
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
CID 106731043
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103864793
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine (CID 103864804) is 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine is CCC(C)(CC)NCCS(=O)(=O)C(C)C.
What is the InChIKey of 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine?
The InChIKey is HCVNDEXTMLMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-11(5,7-2)12-8-9-15(13,14)10(3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine?
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine is sourced from PubChem (CID 103864804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).