7-methylsulfinylheptan-1-amine

C8H19NOS — CID 121232645

IUPAC7-methylsulfinylheptan-1-amine
SMILESCS(=O)CCCCCCCN
InChIInChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3
InChIKeyNEMIGFQIONIZCH-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.27
Rot. Bonds7

About 7-methylsulfinylheptan-1-amine

7-methylsulfinylheptan-1-amine (PubChem CID 121232645) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 7-methylsulfinylheptan-1-amine.

Molecular Properties

Compound Name7-methylsulfinylheptan-1-amine
PubChem CID121232645
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name7-methylsulfinylheptan-1-amine
SMILESCS(=O)CCCCCCCN
InChIInChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3
InChIKeyNEMIGFQIONIZCH-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.27
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

8-(Methylsulfinyl)octylamine
CID 121232648
8-(Methylthio)octylamine
CID 19892123
9-(Methylsulfonyl)nonylamine
CID 101417644
12-Thiatridecylamine
CID 15934918
6-Methanesulfonylhexan-1-amine
CID 64503392
Methylthioheptylamine
CID 103691687
4-Tert-butylsulfonylhexan-1-amine
CID 21458596
6-(6-Aminohexylsulfinyl)hexan-1-amine
CID 21525428
5-(Methylsulfinyl)pentylamine
CID 45039895
6-Tert-butylsulfonylhexan-1-amine
CID 54231829
(3R)-3-propylsulfinylpentan-1-amine
CID 54574016
(3S)-3-propylsulfinylpentan-1-amine
CID 54574017

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfinylheptan-1-amine?
The IUPAC name of 7-methylsulfinylheptan-1-amine (CID 121232645) is 7-methylsulfinylheptan-1-amine.
What is the SMILES notation for 7-methylsulfinylheptan-1-amine?
The canonical SMILES for 7-methylsulfinylheptan-1-amine is CS(=O)CCCCCCCN.
What is the InChIKey of 7-methylsulfinylheptan-1-amine?
The InChIKey is NEMIGFQIONIZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3.
What are the key properties of 7-methylsulfinylheptan-1-amine?
7-methylsulfinylheptan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfinylheptan-1-amine is sourced from PubChem (CID 121232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).