1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane

C7H19N3O2S — CID 112684055

IUPAC1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane
SMILESCN(C)CC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(2,6-10(3)4)5-9-13(8,11)12/h9H,5-6H2,1-4H3,(H2,8,11,12)
InChIKeyMKRSEJMUCSQESM-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.63
Rot. Bonds5

About 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane

1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane (PubChem CID 112684055) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane
PubChem CID112684055
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane
SMILESCN(C)CC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(2,6-10(3)4)5-9-13(8,11)12/h9H,5-6H2,1-4H3,(H2,8,11,12)
InChIKeyMKRSEJMUCSQESM-UHFFFAOYSA-N
XLogP-0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane?
The IUPAC name of 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane (CID 112684055) is 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane?
The canonical SMILES for 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane is CN(C)CC(C)(C)CNS(N)(=O)=O.
What is the InChIKey of 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane?
The InChIKey is MKRSEJMUCSQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(2,6-10(3)4)5-9-13(8,11)12/h9H,5-6H2,1-4H3,(H2,8,11,12).
What are the key properties of 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane?
1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane has a molecular weight of 209.31 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2,2-dimethyl-3-(sulfamoylamino)propane is sourced from PubChem (CID 112684055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).