N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine

C4H14N2O2S — CID 144908954

IUPACN'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine
SMILESCS(O)(O)NCCCN
InChIInChI=1S/C4H14N2O2S/c1-9(7,8)6-4-2-3-5/h6-8H,2-5H2,1H3
InChIKeyUVPCKFPEFAXFME-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.22
Rot. Bonds4

About N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine

N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine (PubChem CID 144908954) has the molecular formula C4H14N2O2S and a molecular weight of 154.24 g/mol. Its IUPAC name is N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine
PubChem CID144908954
Molecular FormulaC4H14N2O2S
Molecular Weight154.24 g/mol
Exact Mass154.08
IUPAC NameN'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine
SMILESCS(O)(O)NCCCN
InChIInChI=1S/C4H14N2O2S/c1-9(7,8)6-4-2-3-5/h6-8H,2-5H2,1H3
InChIKeyUVPCKFPEFAXFME-UHFFFAOYSA-N
XLogP0.22
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine
CID 123548608
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
CID 144267996
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine
CID 144267997
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane;molecular hydrogen
CID 144268144
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine
CID 144268145
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;molecular hydrogen
CID 144268216
N'-[dihydroxy(methyl)-lambda4-sulfanyl]ethane-1,2-diamine
CID 145333670
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane
CID 153622737
N-(amino-hydroxy-methyl-lambda4-sulfanyl)butan-1-amine
CID 156709980
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane
CID 162721887

Frequently Asked Questions

What is the IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine?
The IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine (CID 144908954) is N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine.
What is the SMILES notation for N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine?
The canonical SMILES for N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine is CS(O)(O)NCCCN.
What is the InChIKey of N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine?
The InChIKey is UVPCKFPEFAXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2O2S/c1-9(7,8)6-4-2-3-5/h6-8H,2-5H2,1H3.
What are the key properties of N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine?
N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine has a molecular weight of 154.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dihydroxy(methyl)-λ4-sulfanyl]propane-1,3-diamine is sourced from PubChem (CID 144908954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).