1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine

C14H31NO2S — CID 115865137

IUPAC1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
SMILESCCS(=O)(=O)CCCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-6-18(16,17)9-7-8-13(15)10-12(2)11-14(3,4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyMEVGGRGEBCZPRN-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.99
Rot. Bonds8

About 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine

1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine (PubChem CID 115865137) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
PubChem CID115865137
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
SMILESCCS(=O)(=O)CCCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-6-18(16,17)9-7-8-13(15)10-12(2)11-14(3,4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyMEVGGRGEBCZPRN-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7,9,9-tetramethyldecan-5-amine
CID 115846063
2,2,4-trimethyltridec-12-en-6-amine
CID 107012033
1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
CID 104992603
6,8,8-trimethyl-1-methylsulfonylnonan-4-ol
CID 115780204
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
N-ethyl-6,8,8-trimethyl-1-methylsulfonylnonan-4-amine
CID 115820792
5-methyl-1-methylsulfonylheptan-3-amine
CID 115848498
6,8,8-trimethylnon-1-en-4-amine
CID 115813808
1-ethylsulfonyl-5-methyloctan-4-amine
CID 115865333
6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
CID 115865472
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine?
The IUPAC name of 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine (CID 115865137) is 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine is CCS(=O)(=O)CCCC(N)CC(C)CC(C)(C)C.
What is the InChIKey of 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine?
The InChIKey is MEVGGRGEBCZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-6-18(16,17)9-7-8-13(15)10-12(2)11-14(3,4)5/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine?
1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine has a molecular weight of 277.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine is sourced from PubChem (CID 115865137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).