N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide

C5H13N3OS — CID 143700365

IUPACN',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide
SMILESCN(C)NC(=O)CNCS
InChIInChI=1S/C5H13N3OS/c1-8(2)7-5(9)3-6-4-10/h6,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyGGVWAWGJWOKTNO-UHFFFAOYSA-N
MW163.25 g/mol
LogP-0.94
Rot. Bonds4

About N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide

N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide (PubChem CID 143700365) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide
PubChem CID143700365
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC NameN',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide
SMILESCN(C)NC(=O)CNCS
InChIInChI=1S/C5H13N3OS/c1-8(2)7-5(9)3-6-4-10/h6,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyGGVWAWGJWOKTNO-UHFFFAOYSA-N
XLogP-0.94
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide?
The IUPAC name of N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide (CID 143700365) is N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide?
The canonical SMILES for N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide is CN(C)NC(=O)CNCS.
What is the InChIKey of N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide?
The InChIKey is GGVWAWGJWOKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c1-8(2)7-5(9)3-6-4-10/h6,10H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide?
N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide has a molecular weight of 163.25 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(sulfanylmethylamino)acetohydrazide is sourced from PubChem (CID 143700365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).