2-[methylamino(sulfino)amino]propane

C4H12N2O2S — CID 150376162

IUPAC2-[methylamino(sulfino)amino]propane
SMILESCNN(C(C)C)S(=O)O
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(5-3)9(7)8/h4-5H,1-3H3,(H,7,8)
InChIKeyMZAWGEBBPKMDAX-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.03
Rot. Bonds3

About 2-[methylamino(sulfino)amino]propane

2-[methylamino(sulfino)amino]propane (PubChem CID 150376162) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-[methylamino(sulfino)amino]propane.

Molecular Properties

Compound Name2-[methylamino(sulfino)amino]propane
PubChem CID150376162
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name2-[methylamino(sulfino)amino]propane
SMILESCNN(C(C)C)S(=O)O
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(5-3)9(7)8/h4-5H,1-3H3,(H,7,8)
InChIKeyMZAWGEBBPKMDAX-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane
CID 57206059
4-[2,6-dimethylheptan-4-yl(sulfino)amino]-2,6-dimethylheptane
CID 91398606
2-[sulfino(trifluoromethyl)amino]propane
CID 57055946
2-[hydroxy(propan-2-yl)amino]ethanesulfinic acid
CID 23382885
[[methyl(sulfino)amino]-sulfinoamino]methane
CID 23174157
ethane-1,1-disulfinic acid
CID 56623500
6-methylheptylsulfamic acid
CID 87283481
5-methyl-1-(sulfinoamino)hexane
CID 175257110
phosphane;sulfurous acid
CID 173229936
1-hydroxypropane-2-sulfinic acid
CID 57120946
butane-2-sulfinic acid
CID 12672761
(2,2,2-trifluoroethylsulfonylamino)methanesulfinic acid
CID 87186721

Frequently Asked Questions

What is the IUPAC name of 2-[methylamino(sulfino)amino]propane?
The IUPAC name of 2-[methylamino(sulfino)amino]propane (CID 150376162) is 2-[methylamino(sulfino)amino]propane.
What is the SMILES notation for 2-[methylamino(sulfino)amino]propane?
The canonical SMILES for 2-[methylamino(sulfino)amino]propane is CNN(C(C)C)S(=O)O.
What is the InChIKey of 2-[methylamino(sulfino)amino]propane?
The InChIKey is MZAWGEBBPKMDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-4(2)6(5-3)9(7)8/h4-5H,1-3H3,(H,7,8).
What are the key properties of 2-[methylamino(sulfino)amino]propane?
2-[methylamino(sulfino)amino]propane has a molecular weight of 152.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylamino(sulfino)amino]propane is sourced from PubChem (CID 150376162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).