3-ethylsulfinyl-N-methylheptan-4-amine

C10H23NOS — CID 64651090

IUPAC3-ethylsulfinyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)CC
InChIInChI=1S/C10H23NOS/c1-5-8-9(11-4)10(6-2)13(12)7-3/h9-11H,5-8H2,1-4H3
InChIKeyFTTMGUUKKDERDY-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds7

About 3-ethylsulfinyl-N-methylheptan-4-amine

3-ethylsulfinyl-N-methylheptan-4-amine (PubChem CID 64651090) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-methylheptan-4-amine
PubChem CID64651090
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-ethylsulfinyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)CC
InChIInChI=1S/C10H23NOS/c1-5-8-9(11-4)10(6-2)13(12)7-3/h9-11H,5-8H2,1-4H3
InChIKeyFTTMGUUKKDERDY-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
3-butan-2-ylsulfinyl-N-ethylheptan-4-amine
CID 64651485
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
N,5,8-trimethylnonan-4-amine
CID 83047737
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
2-ethoxy-N-methylhexan-3-amine
CID 64534795
3-methyl-4-(methylamino)heptanoic acid
CID 116953418
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
3-(2-methylbutylsulfinyl)heptan-4-amine
CID 107759994
5-butan-2-ylsulfinyl-N-methylpentan-2-amine
CID 64660321
3-cyclohexylsulfinyl-N-propylheptan-4-amine
CID 64654358

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-methylheptan-4-amine?
The IUPAC name of 3-ethylsulfinyl-N-methylheptan-4-amine (CID 64651090) is 3-ethylsulfinyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-methylheptan-4-amine?
The canonical SMILES for 3-ethylsulfinyl-N-methylheptan-4-amine is CCCC(NC)C(CC)S(=O)CC.
What is the InChIKey of 3-ethylsulfinyl-N-methylheptan-4-amine?
The InChIKey is FTTMGUUKKDERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-8-9(11-4)10(6-2)13(12)7-3/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-ethylsulfinyl-N-methylheptan-4-amine?
3-ethylsulfinyl-N-methylheptan-4-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-methylheptan-4-amine is sourced from PubChem (CID 64651090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).