N-(methylsulfamoyl)heptan-2-amine

C8H20N2O2S — CID 175947660

IUPACN-(methylsulfamoyl)heptan-2-amine
SMILESCCCCCC(C)NS(=O)(=O)NC
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7-8(2)10-13(11,12)9-3/h8-10H,4-7H2,1-3H3
InChIKeyZQQCUKVVVPZDPM-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.01
Rot. Bonds7

About N-(methylsulfamoyl)heptan-2-amine

N-(methylsulfamoyl)heptan-2-amine (PubChem CID 175947660) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(methylsulfamoyl)heptan-2-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)heptan-2-amine
PubChem CID175947660
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(methylsulfamoyl)heptan-2-amine
SMILESCCCCCC(C)NS(=O)(=O)NC
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7-8(2)10-13(11,12)9-3/h8-10H,4-7H2,1-3H3
InChIKeyZQQCUKVVVPZDPM-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)heptan-2-amine?
The IUPAC name of N-(methylsulfamoyl)heptan-2-amine (CID 175947660) is N-(methylsulfamoyl)heptan-2-amine.
What is the SMILES notation for N-(methylsulfamoyl)heptan-2-amine?
The canonical SMILES for N-(methylsulfamoyl)heptan-2-amine is CCCCCC(C)NS(=O)(=O)NC.
What is the InChIKey of N-(methylsulfamoyl)heptan-2-amine?
The InChIKey is ZQQCUKVVVPZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-5-6-7-8(2)10-13(11,12)9-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-(methylsulfamoyl)heptan-2-amine?
N-(methylsulfamoyl)heptan-2-amine has a molecular weight of 208.33 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)heptan-2-amine is sourced from PubChem (CID 175947660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).