8-methylsulfinyloctan-1-amine

C9H21NOS — CID 121232648

IUPAC8-methylsulfinyloctan-1-amine
SMILESCS(=O)CCCCCCCCN
InChIInChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeySSWZIHDEYOORCA-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.66
Rot. Bonds8

About 8-methylsulfinyloctan-1-amine

8-methylsulfinyloctan-1-amine (PubChem CID 121232648) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 8-methylsulfinyloctan-1-amine.

Molecular Properties

Compound Name8-methylsulfinyloctan-1-amine
PubChem CID121232648
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name8-methylsulfinyloctan-1-amine
SMILESCS(=O)CCCCCCCCN
InChIInChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeySSWZIHDEYOORCA-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(Methylsulfinyl)heptylamine
CID 121232645
8-(Methylthio)octylamine
CID 19892123
9-(Methylsulfonyl)nonylamine
CID 101417644
12-Thiatridecylamine
CID 15934918
6-Methanesulfonylhexan-1-amine
CID 64503392
Methylthioheptylamine
CID 103691687
2-(Octylsulfonyl)ethanamine
CID 2218365
11-Butylsulfanylundecan-1-amine
CID 20482574
6-(6-Aminohexylsulfinyl)hexan-1-amine
CID 21525428
1-(Nonylsulfonyl)eth-2-ylamine
CID 43829024
5-(Methylsulfinyl)pentylamine
CID 45039895
(3R)-3-propylsulfinylpentan-1-amine
CID 54574016

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfinyloctan-1-amine?
The IUPAC name of 8-methylsulfinyloctan-1-amine (CID 121232648) is 8-methylsulfinyloctan-1-amine.
What is the SMILES notation for 8-methylsulfinyloctan-1-amine?
The canonical SMILES for 8-methylsulfinyloctan-1-amine is CS(=O)CCCCCCCCN.
What is the InChIKey of 8-methylsulfinyloctan-1-amine?
The InChIKey is SSWZIHDEYOORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3.
What are the key properties of 8-methylsulfinyloctan-1-amine?
8-methylsulfinyloctan-1-amine has a molecular weight of 191.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfinyloctan-1-amine is sourced from PubChem (CID 121232648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).