6-methyl-1-(sulfinatoamino)heptane

C8H18NO2S- — CID 22376959

IUPAC6-methyl-1-(sulfinatoamino)heptane
SMILESCC(C)CCCCCNS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-8(2)6-4-3-5-7-9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyXZDNJAXTTUXZKU-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.59
Rot. Bonds7

About 6-methyl-1-(sulfinatoamino)heptane

6-methyl-1-(sulfinatoamino)heptane (PubChem CID 22376959) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 6-methyl-1-(sulfinatoamino)heptane.

Molecular Properties

Compound Name6-methyl-1-(sulfinatoamino)heptane
PubChem CID22376959
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name6-methyl-1-(sulfinatoamino)heptane
SMILESCC(C)CCCCCNS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-8(2)6-4-3-5-7-9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyXZDNJAXTTUXZKU-UHFFFAOYSA-M
XLogP1.59
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(sulfinoamino)hexane
CID 175257110
10-methylundecane-1-sulfinate
CID 175520808
8-methyl-N-oxidononan-1-amine
CID 170430879
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
N,6-dimethylheptan-1-amine;ethane
CID 169159475
N,5-dimethylhexan-1-amine;ethane
CID 142540507
12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-methyl-6-[6-methylheptan-2-yl(sulfinato)amino]heptane
CID 90709848

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(sulfinatoamino)heptane?
The IUPAC name of 6-methyl-1-(sulfinatoamino)heptane (CID 22376959) is 6-methyl-1-(sulfinatoamino)heptane.
What is the SMILES notation for 6-methyl-1-(sulfinatoamino)heptane?
The canonical SMILES for 6-methyl-1-(sulfinatoamino)heptane is CC(C)CCCCCNS(=O)[O-].
What is the InChIKey of 6-methyl-1-(sulfinatoamino)heptane?
The InChIKey is XZDNJAXTTUXZKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-8(2)6-4-3-5-7-9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 6-methyl-1-(sulfinatoamino)heptane?
6-methyl-1-(sulfinatoamino)heptane has a molecular weight of 192.30 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(sulfinatoamino)heptane is sourced from PubChem (CID 22376959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).