1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane

C8H22N4O2S — CID 130198787

IUPAC1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane
SMILESCC(C)NC(CNS(N)(=O)=O)CN(C)C
InChIInChI=1S/C8H22N4O2S/c1-7(2)11-8(6-12(3)4)5-10-15(9,13)14/h7-8,10-11H,5-6H2,1-4H3,(H2,9,13,14)
InChIKeyQNTYXTWSEJONOL-UHFFFAOYSA-N
MW238.36 g/mol
LogP-1.29
Rot. Bonds7

About 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane

1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane (PubChem CID 130198787) has the molecular formula C8H22N4O2S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane
PubChem CID130198787
Molecular FormulaC8H22N4O2S
Molecular Weight238.36 g/mol
Exact Mass238.15
IUPAC Name1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane
SMILESCC(C)NC(CNS(N)(=O)=O)CN(C)C
InChIInChI=1S/C8H22N4O2S/c1-7(2)11-8(6-12(3)4)5-10-15(9,13)14/h7-8,10-11H,5-6H2,1-4H3,(H2,9,13,14)
InChIKeyQNTYXTWSEJONOL-UHFFFAOYSA-N
XLogP-1.29
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The IUPAC name of 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane (CID 130198787) is 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The canonical SMILES for 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane is CC(C)NC(CNS(N)(=O)=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The InChIKey is QNTYXTWSEJONOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O2S/c1-7(2)11-8(6-12(3)4)5-10-15(9,13)14/h7-8,10-11H,5-6H2,1-4H3,(H2,9,13,14).
What are the key properties of 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane?
1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane has a molecular weight of 238.36 g/mol, XLogP of -1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(propan-2-ylamino)-3-(sulfamoylamino)propane is sourced from PubChem (CID 130198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).