N-(propan-2-ylideneamino)sulfanylmethanamine

C4H10N2S — CID 134333441

IUPACN-(propan-2-ylideneamino)sulfanylmethanamine
SMILESCNSN=C(C)C
InChIInChI=1S/C4H10N2S/c1-4(2)6-7-5-3/h5H,1-3H3
InChIKeyCJINFECMXGLHSU-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.25
Rot. Bonds2

About N-(propan-2-ylideneamino)sulfanylmethanamine

N-(propan-2-ylideneamino)sulfanylmethanamine (PubChem CID 134333441) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)sulfanylmethanamine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)sulfanylmethanamine
PubChem CID134333441
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC NameN-(propan-2-ylideneamino)sulfanylmethanamine
SMILESCNSN=C(C)C
InChIInChI=1S/C4H10N2S/c1-4(2)6-7-5-3/h5H,1-3H3
InChIKeyCJINFECMXGLHSU-UHFFFAOYSA-N
XLogP1.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)sulfanylmethanamine?
The IUPAC name of N-(propan-2-ylideneamino)sulfanylmethanamine (CID 134333441) is N-(propan-2-ylideneamino)sulfanylmethanamine.
What is the SMILES notation for N-(propan-2-ylideneamino)sulfanylmethanamine?
The canonical SMILES for N-(propan-2-ylideneamino)sulfanylmethanamine is CNSN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)sulfanylmethanamine?
The InChIKey is CJINFECMXGLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4(2)6-7-5-3/h5H,1-3H3.
What are the key properties of N-(propan-2-ylideneamino)sulfanylmethanamine?
N-(propan-2-ylideneamino)sulfanylmethanamine has a molecular weight of 118.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)sulfanylmethanamine is sourced from PubChem (CID 134333441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).