1-(dimethylsulfamoylamino)butane

C6H16N2O2S — CID 3523339

IUPAC1-(dimethylsulfamoylamino)butane
SMILESCCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-4-5-6-7-11(9,10)8(2)3/h7H,4-6H2,1-3H3
InChIKeyUCKZPMGPNPSTBN-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.18
Rot. Bonds5

About 1-(dimethylsulfamoylamino)butane

1-(dimethylsulfamoylamino)butane (PubChem CID 3523339) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)butane
PubChem CID3523339
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-(dimethylsulfamoylamino)butane
SMILESCCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-4-5-6-7-11(9,10)8(2)3/h7H,4-6H2,1-3H3
InChIKeyUCKZPMGPNPSTBN-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
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 1-(dimethylsulfamoylamino)butane?
The IUPAC name of 1-(dimethylsulfamoylamino)butane (CID 3523339) is 1-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)butane?
The canonical SMILES for 1-(dimethylsulfamoylamino)butane is CCCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)butane?
The InChIKey is UCKZPMGPNPSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-5-6-7-11(9,10)8(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)butane?
1-(dimethylsulfamoylamino)butane has a molecular weight of 180.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 3523339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).