(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine

C6H13NOS — CID 87431449

IUPAC(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine
SMILESC=CC[C@@H](COS)NC
InChIInChI=1S/C6H13NOS/c1-3-4-6(7-2)5-8-9/h3,6-7,9H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyUJUOWGOKLRXHBY-LURJTMIESA-N
MW147.24 g/mol
LogP1.01
Rot. Bonds5

About (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine

(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine (PubChem CID 87431449) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine
PubChem CID87431449
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine
SMILESC=CC[C@@H](COS)NC
InChIInChI=1S/C6H13NOS/c1-3-4-6(7-2)5-8-9/h3,6-7,9H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyUJUOWGOKLRXHBY-LURJTMIESA-N
XLogP1.01
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_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 (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine?
The IUPAC name of (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine (CID 87431449) is (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine?
The canonical SMILES for (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine is C=CC[C@@H](COS)NC.
What is the InChIKey of (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine?
The InChIKey is UJUOWGOKLRXHBY-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NOS/c1-3-4-6(7-2)5-8-9/h3,6-7,9H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine?
(2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine has a molecular weight of 147.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-sulfanyloxypent-4-en-2-amine is sourced from PubChem (CID 87431449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).