3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine

C4H13NO2S — CID 143992140

IUPAC3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
SMILESCS(O)(O)CCCN
InChIInChI=1S/C4H13NO2S/c1-8(6,7)4-2-3-5/h6-7H,2-5H2,1H3
InChIKeyWBLACYXWTQKQRB-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.72
Rot. Bonds3

About 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine

3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine (PubChem CID 143992140) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
PubChem CID143992140
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC Name3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
SMILESCS(O)(O)CCCN
InChIInChI=1S/C4H13NO2S/c1-8(6,7)4-2-3-5/h6-7H,2-5H2,1H3
InChIKeyWBLACYXWTQKQRB-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butane-1,4-diamine;methanesulfonic acid
CID 160759082
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895
strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625
3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride
CID 170912715
3-[diethoxy(methyl)-λ4-sulfanyl]propan-1-amine;ethanol
CID 143933313
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
3-(trimethoxy-λ4-sulfanyl)propan-1-amine
CID 154533751
ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine
CID 142218623
butan-1-amine;butane-1-sulfonic acid
CID 159596824
4-aminobutane-1-sulfonic acid;butane
CID 172845680
9-methylsulfonylnonan-1-amine
CID 101417644

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine?
The IUPAC name of 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine (CID 143992140) is 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine is CS(O)(O)CCCN.
What is the InChIKey of 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine?
The InChIKey is WBLACYXWTQKQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-8(6,7)4-2-3-5/h6-7H,2-5H2,1H3.
What are the key properties of 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine?
3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine has a molecular weight of 139.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 143992140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).