2-(sulfinoamino)propane

C3H9NO2S — CID 19096109

IUPAC2-(sulfinoamino)propane
SMILESCC(C)NS(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(2)4-7(5)6/h3-4H,1-2H3,(H,5,6)
InChIKeyBJZNDLUWWQKAOP-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.12
Rot. Bonds2

About 2-(sulfinoamino)propane

2-(sulfinoamino)propane (PubChem CID 19096109) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is 2-(sulfinoamino)propane.

Molecular Properties

Compound Name2-(sulfinoamino)propane
PubChem CID19096109
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name2-(sulfinoamino)propane
SMILESCC(C)NS(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(2)4-7(5)6/h3-4H,1-2H3,(H,5,6)
InChIKeyBJZNDLUWWQKAOP-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isopropylsulphamoyl chloride
CID 117737
Isopropylsulfamic acid
CID 65283
N-(1-Methylethyl)sulfamide
CID 13626285
Isopropylamine sulfate
CID 62170
Propylsulfamic acid
CID 14979915
N-isopropylsulfonamide
CID 21260271
1-(Sulfinoamino)butane
CID 17907453
1-(Sulfinoamino)propane
CID 18668240
propan-2-amine;sulfurothioic O-acid
CID 20510318
Butan-2-ylsulfamic acid
CID 20542153
N-chlorylsulfanylpropan-2-amine
CID 20702463
Carbanide;(sulfinoamino)ethane;tungsten
CID 21334679

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)propane?
The IUPAC name of 2-(sulfinoamino)propane (CID 19096109) is 2-(sulfinoamino)propane.
What is the SMILES notation for 2-(sulfinoamino)propane?
The canonical SMILES for 2-(sulfinoamino)propane is CC(C)NS(=O)O.
What is the InChIKey of 2-(sulfinoamino)propane?
The InChIKey is BJZNDLUWWQKAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3(2)4-7(5)6/h3-4H,1-2H3,(H,5,6).
What are the key properties of 2-(sulfinoamino)propane?
2-(sulfinoamino)propane has a molecular weight of 123.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)propane is sourced from PubChem (CID 19096109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).