2-methyl-1-(sulfamoylamino)propane;hydrochloride

C4H13ClN2O2S — CID 172817647

IUPAC2-methyl-1-(sulfamoylamino)propane;hydrochloride
SMILESCC(C)CNS(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2)3-6-9(5,7)8;/h4,6H,3H2,1-2H3,(H2,5,7,8);1H
InChIKeyTUDVCZSRXPSWDU-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.14
Rot. Bonds3

About 2-methyl-1-(sulfamoylamino)propane;hydrochloride

2-methyl-1-(sulfamoylamino)propane;hydrochloride (PubChem CID 172817647) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-methyl-1-(sulfamoylamino)propane;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(sulfamoylamino)propane;hydrochloride
PubChem CID172817647
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name2-methyl-1-(sulfamoylamino)propane;hydrochloride
SMILESCC(C)CNS(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2)3-6-9(5,7)8;/h4,6H,3H2,1-2H3,(H2,5,7,8);1H
InChIKeyTUDVCZSRXPSWDU-UHFFFAOYSA-N
XLogP-0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(sulfamoylamino)propane;hydrochloride?
The IUPAC name of 2-methyl-1-(sulfamoylamino)propane;hydrochloride (CID 172817647) is 2-methyl-1-(sulfamoylamino)propane;hydrochloride.
What is the SMILES notation for 2-methyl-1-(sulfamoylamino)propane;hydrochloride?
The canonical SMILES for 2-methyl-1-(sulfamoylamino)propane;hydrochloride is CC(C)CNS(N)(=O)=O.Cl.
What is the InChIKey of 2-methyl-1-(sulfamoylamino)propane;hydrochloride?
The InChIKey is TUDVCZSRXPSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-4(2)3-6-9(5,7)8;/h4,6H,3H2,1-2H3,(H2,5,7,8);1H.
What are the key properties of 2-methyl-1-(sulfamoylamino)propane;hydrochloride?
2-methyl-1-(sulfamoylamino)propane;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(sulfamoylamino)propane;hydrochloride is sourced from PubChem (CID 172817647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).