N-ethyl-N-prop-2-ynylthian-4-amine

C10H17NS — CID 130684637

IUPACN-ethyl-N-prop-2-ynylthian-4-amine
SMILESC#CCN(CC)C1CCSCC1
InChIInChI=1S/C10H17NS/c1-3-7-11(4-2)10-5-8-12-9-6-10/h1,10H,4-9H2,2H3
InChIKeyBQFHTMAEDQWWKJ-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.84
Rot. Bonds3

About N-ethyl-N-prop-2-ynylthian-4-amine

N-ethyl-N-prop-2-ynylthian-4-amine (PubChem CID 130684637) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylthian-4-amine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylthian-4-amine
PubChem CID130684637
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-ethyl-N-prop-2-ynylthian-4-amine
SMILESC#CCN(CC)C1CCSCC1
InChIInChI=1S/C10H17NS/c1-3-7-11(4-2)10-5-8-12-9-6-10/h1,10H,4-9H2,2H3
InChIKeyBQFHTMAEDQWWKJ-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.84
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-ethyl-N-prop-2-ynylthian-4-amine?
The IUPAC name of N-ethyl-N-prop-2-ynylthian-4-amine (CID 130684637) is N-ethyl-N-prop-2-ynylthian-4-amine.
What is the SMILES notation for N-ethyl-N-prop-2-ynylthian-4-amine?
The canonical SMILES for N-ethyl-N-prop-2-ynylthian-4-amine is C#CCN(CC)C1CCSCC1.
What is the InChIKey of N-ethyl-N-prop-2-ynylthian-4-amine?
The InChIKey is BQFHTMAEDQWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-7-11(4-2)10-5-8-12-9-6-10/h1,10H,4-9H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynylthian-4-amine?
N-ethyl-N-prop-2-ynylthian-4-amine has a molecular weight of 183.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylthian-4-amine is sourced from PubChem (CID 130684637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).