N-methyl-N-prop-2-ynylthiolan-3-amine

C8H13NS — CID 61343229

IUPACN-methyl-N-prop-2-ynylthiolan-3-amine
SMILESC#CCN(C)C1CCSC1
InChIInChI=1S/C8H13NS/c1-3-5-9(2)8-4-6-10-7-8/h1,8H,4-7H2,2H3
InChIKeyUXHHIUTZWHVHMR-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-N-prop-2-ynylthiolan-3-amine

N-methyl-N-prop-2-ynylthiolan-3-amine (PubChem CID 61343229) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylthiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylthiolan-3-amine
PubChem CID61343229
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-methyl-N-prop-2-ynylthiolan-3-amine
SMILESC#CCN(C)C1CCSC1
InChIInChI=1S/C8H13NS/c1-3-5-9(2)8-4-6-10-7-8/h1,8H,4-7H2,2H3
InChIKeyUXHHIUTZWHVHMR-UHFFFAOYSA-N
XLogP1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylthiolan-3-amine?
The IUPAC name of N-methyl-N-prop-2-ynylthiolan-3-amine (CID 61343229) is N-methyl-N-prop-2-ynylthiolan-3-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynylthiolan-3-amine?
The canonical SMILES for N-methyl-N-prop-2-ynylthiolan-3-amine is C#CCN(C)C1CCSC1.
What is the InChIKey of N-methyl-N-prop-2-ynylthiolan-3-amine?
The InChIKey is UXHHIUTZWHVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-5-9(2)8-4-6-10-7-8/h1,8H,4-7H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynylthiolan-3-amine?
N-methyl-N-prop-2-ynylthiolan-3-amine has a molecular weight of 155.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylthiolan-3-amine is sourced from PubChem (CID 61343229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).