1-(diethylsulfamoylamino)-5-methylhexane

C11H26N2O2S — CID 167070517

IUPAC1-(diethylsulfamoylamino)-5-methylhexane
SMILESCCN(CC)S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-13(6-2)16(14,15)12-10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyIPASEVLMDNQZQU-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.99
Rot. Bonds9

About 1-(diethylsulfamoylamino)-5-methylhexane

1-(diethylsulfamoylamino)-5-methylhexane (PubChem CID 167070517) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-5-methylhexane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-5-methylhexane
PubChem CID167070517
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name1-(diethylsulfamoylamino)-5-methylhexane
SMILESCCN(CC)S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-13(6-2)16(14,15)12-10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyIPASEVLMDNQZQU-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diethylsulfamoylamino)-5-methylhexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-5-methylhexane?
The IUPAC name of 1-(diethylsulfamoylamino)-5-methylhexane (CID 167070517) is 1-(diethylsulfamoylamino)-5-methylhexane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-5-methylhexane?
The canonical SMILES for 1-(diethylsulfamoylamino)-5-methylhexane is CCN(CC)S(=O)(=O)NCCCCC(C)C.
What is the InChIKey of 1-(diethylsulfamoylamino)-5-methylhexane?
The InChIKey is IPASEVLMDNQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-13(6-2)16(14,15)12-10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(diethylsulfamoylamino)-5-methylhexane?
1-(diethylsulfamoylamino)-5-methylhexane has a molecular weight of 250.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-5-methylhexane is sourced from PubChem (CID 167070517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).