4-[(sulfinoamino)methyl]nonane

C10H23NO2S — CID 57421732

IUPAC4-[(sulfinoamino)methyl]nonane
SMILESCCCCCC(CCC)CNS(=O)O
InChIInChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)
InChIKeyMTWLHTLTDXICQQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.71
Rot. Bonds9

About 4-[(sulfinoamino)methyl]nonane

4-[(sulfinoamino)methyl]nonane (PubChem CID 57421732) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-[(sulfinoamino)methyl]nonane.

Molecular Properties

Compound Name4-[(sulfinoamino)methyl]nonane
PubChem CID57421732
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-[(sulfinoamino)methyl]nonane
SMILESCCCCCC(CCC)CNS(=O)O
InChIInChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)
InChIKeyMTWLHTLTDXICQQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.71
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'}

Analyze 4-[(sulfinoamino)methyl]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-Methyloctyl)sulfamic acid
CID 24796789
(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786
(7-Methyloctyl)sulfamate
CID 24796788
(9-Methyldecyl)sulfamic acid
CID 24796785
(8-Methylnonyl)sulfamic acid
CID 24796787
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-[(sulfinoamino)methyl]tridecane
CID 54395501
1-(Methoxysulfinylamino)-13-methylpentadecane
CID 20669578
3-Methylheptan-2-ylsulfamic acid
CID 21497854
6-Methyl-1-(sulfinatoamino)heptane
CID 22376959
1-Cyclohexylethylsulfamic acid
CID 23466966
2-(Sulfinatoamino)ethylcyclohexane
CID 57019003

Frequently Asked Questions

What is the IUPAC name of 4-[(sulfinoamino)methyl]nonane?
The IUPAC name of 4-[(sulfinoamino)methyl]nonane (CID 57421732) is 4-[(sulfinoamino)methyl]nonane.
What is the SMILES notation for 4-[(sulfinoamino)methyl]nonane?
The canonical SMILES for 4-[(sulfinoamino)methyl]nonane is CCCCCC(CCC)CNS(=O)O.
What is the InChIKey of 4-[(sulfinoamino)methyl]nonane?
The InChIKey is MTWLHTLTDXICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-[(sulfinoamino)methyl]nonane?
4-[(sulfinoamino)methyl]nonane has a molecular weight of 221.37 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(sulfinoamino)methyl]nonane is sourced from PubChem (CID 57421732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).