N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine

C4H14N2OS — CID 153331859

IUPACN'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESCS(C)(O)NCCN
InChIInChI=1S/C4H14N2OS/c1-8(2,7)6-4-3-5/h6-7H,3-5H2,1-2H3
InChIKeyIZSPUVSHUPBZPL-UHFFFAOYSA-N
MW138.24 g/mol
LogP-0.01
Rot. Bonds3

About N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine

N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine (PubChem CID 153331859) has the molecular formula C4H14N2OS and a molecular weight of 138.24 g/mol. Its IUPAC name is N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
PubChem CID153331859
Molecular FormulaC4H14N2OS
Molecular Weight138.24 g/mol
Exact Mass138.08
IUPAC NameN'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESCS(C)(O)NCCN
InChIInChI=1S/C4H14N2OS/c1-8(2,7)6-4-3-5/h6-7H,3-5H2,1-2H3
InChIKeyIZSPUVSHUPBZPL-UHFFFAOYSA-N
XLogP-0.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The IUPAC name of N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine (CID 153331859) is N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The canonical SMILES for N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine is CS(C)(O)NCCN.
What is the InChIKey of N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
The InChIKey is IZSPUVSHUPBZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2OS/c1-8(2,7)6-4-3-5/h6-7H,3-5H2,1-2H3.
What are the key properties of N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine?
N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine has a molecular weight of 138.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[hydroxy(dimethyl)-λ4-sulfanyl]ethane-1,2-diamine is sourced from PubChem (CID 153331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).