N-(methylsulfamoyl)octan-2-amine

C9H22N2O2S — CID 167189143

IUPACN-(methylsulfamoyl)octan-2-amine
SMILESCCCCCCC(C)NS(=O)(=O)NC
InChIInChI=1S/C9H22N2O2S/c1-4-5-6-7-8-9(2)11-14(12,13)10-3/h9-11H,4-8H2,1-3H3
InChIKeyBSLMKIAJICVXNJ-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.40
Rot. Bonds8

About N-(methylsulfamoyl)octan-2-amine

N-(methylsulfamoyl)octan-2-amine (PubChem CID 167189143) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(methylsulfamoyl)octan-2-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)octan-2-amine
PubChem CID167189143
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(methylsulfamoyl)octan-2-amine
SMILESCCCCCCC(C)NS(=O)(=O)NC
InChIInChI=1S/C9H22N2O2S/c1-4-5-6-7-8-9(2)11-14(12,13)10-3/h9-11H,4-8H2,1-3H3
InChIKeyBSLMKIAJICVXNJ-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-octan-2-ylethanesulfonamide
CID 61477051
N-methyltetradecan-2-amine
CID 54073704
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
2-(sulfamoylamino)heptane;2,2,2-trifluoroacetic acid
CID 175947630
1-heptan-2-yl-2-methylhydrazine
CID 123380974
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide
CID 99796865

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)octan-2-amine?
The IUPAC name of N-(methylsulfamoyl)octan-2-amine (CID 167189143) is N-(methylsulfamoyl)octan-2-amine.
What is the SMILES notation for N-(methylsulfamoyl)octan-2-amine?
The canonical SMILES for N-(methylsulfamoyl)octan-2-amine is CCCCCCC(C)NS(=O)(=O)NC.
What is the InChIKey of N-(methylsulfamoyl)octan-2-amine?
The InChIKey is BSLMKIAJICVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-5-6-7-8-9(2)11-14(12,13)10-3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-(methylsulfamoyl)octan-2-amine?
N-(methylsulfamoyl)octan-2-amine has a molecular weight of 222.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)octan-2-amine is sourced from PubChem (CID 167189143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).