N-(methylaminosulfanyl)propan-1-amine

C4H12N2S — CID 139439871

IUPACN-(methylaminosulfanyl)propan-1-amine
SMILESCCCNSNC
InChIInChI=1S/C4H12N2S/c1-3-4-6-7-5-2/h5-6H,3-4H2,1-2H3
InChIKeyLYZUXGFWIZLDHP-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.77
Rot. Bonds4

About N-(methylaminosulfanyl)propan-1-amine

N-(methylaminosulfanyl)propan-1-amine (PubChem CID 139439871) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is N-(methylaminosulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(methylaminosulfanyl)propan-1-amine
PubChem CID139439871
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameN-(methylaminosulfanyl)propan-1-amine
SMILESCCCNSNC
InChIInChI=1S/C4H12N2S/c1-3-4-6-7-5-2/h5-6H,3-4H2,1-2H3
InChIKeyLYZUXGFWIZLDHP-UHFFFAOYSA-N
XLogP0.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(methylaminosulfanyl)propan-1-amine?
The IUPAC name of N-(methylaminosulfanyl)propan-1-amine (CID 139439871) is N-(methylaminosulfanyl)propan-1-amine.
What is the SMILES notation for N-(methylaminosulfanyl)propan-1-amine?
The canonical SMILES for N-(methylaminosulfanyl)propan-1-amine is CCCNSNC.
What is the InChIKey of N-(methylaminosulfanyl)propan-1-amine?
The InChIKey is LYZUXGFWIZLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-3-4-6-7-5-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(methylaminosulfanyl)propan-1-amine?
N-(methylaminosulfanyl)propan-1-amine has a molecular weight of 120.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminosulfanyl)propan-1-amine is sourced from PubChem (CID 139439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).