N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine

C14H31NO2S — CID 81015107

IUPACN-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine
SMILESCCS(=O)(=O)CCCC(C)C(C)CNC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-7-18(16,17)10-8-9-12(2)13(3)11-15-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOIPVKEHCXMQIJF-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.86
Rot. Bonds8

About N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine

N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine (PubChem CID 81015107) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine
PubChem CID81015107
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine
SMILESCCS(=O)(=O)CCCC(C)C(C)CNC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-7-18(16,17)10-8-9-12(2)13(3)11-15-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOIPVKEHCXMQIJF-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
CID 65097386
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
5-chloro-1-ethylsulfonyl-4-methylhexane
CID 65095780
N-tert-butyl-5-ethylsulfonylpentan-1-amine
CID 65097015
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
CID 65097226
5-ethylsulfonyl-2-propan-2-ylpentanoic acid
CID 65098306
N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
CID 115647762
1-ethylsulfonyl-5-methyloctan-4-amine
CID 115865333
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
1-ethylsulfonyl-N,5,6-trimethylheptan-4-amine
CID 115865308

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine (CID 81015107) is N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine is CCS(=O)(=O)CCCC(C)C(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine?
The InChIKey is OIPVKEHCXMQIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-7-18(16,17)10-8-9-12(2)13(3)11-15-14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine?
N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine has a molecular weight of 277.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine is sourced from PubChem (CID 81015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).