6-tert-butylsulfinyl-N-ethylhexan-3-amine

C12H27NOS — CID 106807949

IUPAC6-tert-butylsulfinyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-11(13-7-2)9-8-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeySSLHXVQJNFYQTQ-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.70
Rot. Bonds7

About 6-tert-butylsulfinyl-N-ethylhexan-3-amine

6-tert-butylsulfinyl-N-ethylhexan-3-amine (PubChem CID 106807949) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 6-tert-butylsulfinyl-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfinyl-N-ethylhexan-3-amine
PubChem CID106807949
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name6-tert-butylsulfinyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-11(13-7-2)9-8-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeySSLHXVQJNFYQTQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-propylsulfinylhexan-3-amine
CID 106807953
5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
N,7-diethylnonan-3-amine
CID 82925508
N-ethylnonan-3-amine
CID 60996683
6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
CID 106808043
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
1-butylsulfinyl-N-ethylbutan-2-amine
CID 64651265
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
N-(2-methylsulfinylethyl)heptan-3-amine
CID 115720826
6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
CID 106799710
1-[[(3R)-heptan-3-yl]amino]-2-methylpropan-2-ol
CID 96936020
6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
CID 106800707

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfinyl-N-ethylhexan-3-amine?
The IUPAC name of 6-tert-butylsulfinyl-N-ethylhexan-3-amine (CID 106807949) is 6-tert-butylsulfinyl-N-ethylhexan-3-amine.
What is the SMILES notation for 6-tert-butylsulfinyl-N-ethylhexan-3-amine?
The canonical SMILES for 6-tert-butylsulfinyl-N-ethylhexan-3-amine is CCNC(CC)CCCS(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfinyl-N-ethylhexan-3-amine?
The InChIKey is SSLHXVQJNFYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-11(13-7-2)9-8-10-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 6-tert-butylsulfinyl-N-ethylhexan-3-amine?
6-tert-butylsulfinyl-N-ethylhexan-3-amine has a molecular weight of 233.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfinyl-N-ethylhexan-3-amine is sourced from PubChem (CID 106807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).