N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine

C8H15NS — CID 129060251

IUPACN-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine
SMILESC=C(CC)NCS/C=C\C
InChIInChI=1S/C8H15NS/c1-4-6-10-7-9-8(3)5-2/h4,6,9H,3,5,7H2,1-2H3/b6-4-
InChIKeyBEKIFQCOVQLODX-XQRVVYSFSA-N
MW157.28 g/mol
LogP2.72
Rot. Bonds5

About N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine

N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine (PubChem CID 129060251) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine
PubChem CID129060251
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine
SMILESC=C(CC)NCS/C=C\C
InChIInChI=1S/C8H15NS/c1-4-6-10-7-9-8(3)5-2/h4,6,9H,3,5,7H2,1-2H3/b6-4-
InChIKeyBEKIFQCOVQLODX-XQRVVYSFSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine?
The IUPAC name of N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine (CID 129060251) is N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine.
What is the SMILES notation for N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine?
The canonical SMILES for N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine is C=C(CC)NCS/C=C\C.
What is the InChIKey of N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine?
The InChIKey is BEKIFQCOVQLODX-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-6-10-7-9-8(3)5-2/h4,6,9H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine?
N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine has a molecular weight of 157.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine is sourced from PubChem (CID 129060251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).