4-[(sulfinatoamino)methyl]nonane

C10H22NO2S- — CID 57421731

IUPAC4-[(sulfinatoamino)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)/p-1
InChIKeyMTWLHTLTDXICQQ-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.37
Rot. Bonds9

About 4-[(sulfinatoamino)methyl]nonane

4-[(sulfinatoamino)methyl]nonane (PubChem CID 57421731) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[(sulfinatoamino)methyl]nonane.

Molecular Properties

Compound Name4-[(sulfinatoamino)methyl]nonane
PubChem CID57421731
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name4-[(sulfinatoamino)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)/p-1
InChIKeyMTWLHTLTDXICQQ-UHFFFAOYSA-M
XLogP2.37
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.37
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

Tridecylamine, branched and linear
CID 22833454
2-Butyl-n-octan-1-amine
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2-Propylheptan-1-amine
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3,7-Dimethyloctan-1-amine
CID 13492945
2-Pentylnonan-1-amine
CID 14344819
(7-Methyloctyl)sulfamic acid
CID 24796789
1-Octanamine, 3,7-dimethyl-, (3S)-
CID 11217386
Decane-2-propanamine
CID 19358285
5-Methyl-2-(3-methylbutyl)hexan-1-amine
CID 85675762
(r)-3,7-Dimethyloctan-1-amine
CID 92974894
(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786

Frequently Asked Questions

What is the IUPAC name of 4-[(sulfinatoamino)methyl]nonane?
The IUPAC name of 4-[(sulfinatoamino)methyl]nonane (CID 57421731) is 4-[(sulfinatoamino)methyl]nonane.
What is the SMILES notation for 4-[(sulfinatoamino)methyl]nonane?
The canonical SMILES for 4-[(sulfinatoamino)methyl]nonane is CCCCCC(CCC)CNS(=O)[O-].
What is the InChIKey of 4-[(sulfinatoamino)methyl]nonane?
The InChIKey is MTWLHTLTDXICQQ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-[(sulfinatoamino)methyl]nonane?
4-[(sulfinatoamino)methyl]nonane has a molecular weight of 220.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(sulfinatoamino)methyl]nonane is sourced from PubChem (CID 57421731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).