N-[(E)-prop-1-enyl]sulfanylmethanamine

C4H9NS — CID 155576060

IUPACN-[(E)-prop-1-enyl]sulfanylmethanamine
SMILESC/C=C/SNC
InChIInChI=1S/C4H9NS/c1-3-4-6-5-2/h3-5H,1-2H3/b4-3+
InChIKeyMTODZUYUPZSCHD-ONEGZZNKSA-N
MW103.19 g/mol
LogP1.39
Rot. Bonds2

About N-[(E)-prop-1-enyl]sulfanylmethanamine

N-[(E)-prop-1-enyl]sulfanylmethanamine (PubChem CID 155576060) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]sulfanylmethanamine
PubChem CID155576060
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN-[(E)-prop-1-enyl]sulfanylmethanamine
SMILESC/C=C/SNC
InChIInChI=1S/C4H9NS/c1-3-4-6-5-2/h3-5H,1-2H3/b4-3+
InChIKeyMTODZUYUPZSCHD-ONEGZZNKSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enyl]sulfanylmethanamine?
The IUPAC name of N-[(E)-prop-1-enyl]sulfanylmethanamine (CID 155576060) is N-[(E)-prop-1-enyl]sulfanylmethanamine.
What is the SMILES notation for N-[(E)-prop-1-enyl]sulfanylmethanamine?
The canonical SMILES for N-[(E)-prop-1-enyl]sulfanylmethanamine is C/C=C/SNC.
What is the InChIKey of N-[(E)-prop-1-enyl]sulfanylmethanamine?
The InChIKey is MTODZUYUPZSCHD-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-4-6-5-2/h3-5H,1-2H3/b4-3+.
What are the key properties of N-[(E)-prop-1-enyl]sulfanylmethanamine?
N-[(E)-prop-1-enyl]sulfanylmethanamine has a molecular weight of 103.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]sulfanylmethanamine is sourced from PubChem (CID 155576060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).