5-methyl-1-(sulfinoamino)hexane

C7H17NO2S — CID 175257110

IUPAC5-methyl-1-(sulfinoamino)hexane
SMILESCC(C)CCCCNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-7(2)5-3-4-6-8-11(9)10/h7-8H,3-6H2,1-2H3,(H,9,10)
InChIKeyVISUCGYFGQDMMU-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.54
Rot. Bonds6

About 5-methyl-1-(sulfinoamino)hexane

5-methyl-1-(sulfinoamino)hexane (PubChem CID 175257110) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 5-methyl-1-(sulfinoamino)hexane.

Molecular Properties

Compound Name5-methyl-1-(sulfinoamino)hexane
PubChem CID175257110
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name5-methyl-1-(sulfinoamino)hexane
SMILESCC(C)CCCCNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-7(2)5-3-4-6-8-11(9)10/h7-8H,3-6H2,1-2H3,(H,9,10)
InChIKeyVISUCGYFGQDMMU-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

6-methyl-1-(sulfinatoamino)heptane
CID 22376959
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-(7-methyloctyl)urea
CID 71899901
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N,5-dimethylhexan-1-amine;ethane
CID 142540507
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(sulfinoamino)hexane?
The IUPAC name of 5-methyl-1-(sulfinoamino)hexane (CID 175257110) is 5-methyl-1-(sulfinoamino)hexane.
What is the SMILES notation for 5-methyl-1-(sulfinoamino)hexane?
The canonical SMILES for 5-methyl-1-(sulfinoamino)hexane is CC(C)CCCCNS(=O)O.
What is the InChIKey of 5-methyl-1-(sulfinoamino)hexane?
The InChIKey is VISUCGYFGQDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)5-3-4-6-8-11(9)10/h7-8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 5-methyl-1-(sulfinoamino)hexane?
5-methyl-1-(sulfinoamino)hexane has a molecular weight of 179.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(sulfinoamino)hexane is sourced from PubChem (CID 175257110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).