N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine

C5H14N2OS — CID 155704419

IUPACN',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine
SMILESCN(C)CC(CN)OS
InChIInChI=1S/C5H14N2OS/c1-7(2)4-5(3-6)8-9/h5,9H,3-4,6H2,1-2H3
InChIKeyPBFWCVAMOMYOBI-UHFFFAOYSA-N
MW150.25 g/mol
LogP-0.26
Rot. Bonds4

About N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine

N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine (PubChem CID 155704419) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine
PubChem CID155704419
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC NameN',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine
SMILESCN(C)CC(CN)OS
InChIInChI=1S/C5H14N2OS/c1-7(2)4-5(3-6)8-9/h5,9H,3-4,6H2,1-2H3
InChIKeyPBFWCVAMOMYOBI-UHFFFAOYSA-N
XLogP-0.26
TPSA38.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
2-[2-(dimethylamino)ethoxy]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 21296896
2-tert-butyl-N',N'-dimethylpropane-1,3-diamine
CID 117242323
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
1,3-bis(dimethylamino)propane-2-thiol
CID 13474082
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
CID 164903776
bis[1-(dimethylamino)butan-2-yloxy]tin
CID 162705025
1-(dimethylamino)propan-2-yl hypoiodite
CID 165120228

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine (CID 155704419) is N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine is CN(C)CC(CN)OS.
What is the InChIKey of N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine?
The InChIKey is PBFWCVAMOMYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OS/c1-7(2)4-5(3-6)8-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine?
N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine has a molecular weight of 150.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine is sourced from PubChem (CID 155704419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).