N-(3-ethoxypropyl)thian-4-amine

C10H21NOS — CID 43394857

IUPACN-(3-ethoxypropyl)thian-4-amine
SMILESCCOCCCNC1CCSCC1
InChIInChI=1S/C10H21NOS/c1-2-12-7-3-6-11-10-4-8-13-9-5-10/h10-11H,2-9H2,1H3
InChIKeyHOMXMPRLXOYTBL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds6

About N-(3-ethoxypropyl)thian-4-amine

N-(3-ethoxypropyl)thian-4-amine (PubChem CID 43394857) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)thian-4-amine
PubChem CID43394857
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(3-ethoxypropyl)thian-4-amine
SMILESCCOCCCNC1CCSCC1
InChIInChI=1S/C10H21NOS/c1-2-12-7-3-6-11-10-4-8-13-9-5-10/h10-11H,2-9H2,1H3
InChIKeyHOMXMPRLXOYTBL-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)thian-4-amine?
The IUPAC name of N-(3-ethoxypropyl)thian-4-amine (CID 43394857) is N-(3-ethoxypropyl)thian-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)thian-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)thian-4-amine is CCOCCCNC1CCSCC1.
What is the InChIKey of N-(3-ethoxypropyl)thian-4-amine?
The InChIKey is HOMXMPRLXOYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-12-7-3-6-11-10-4-8-13-9-5-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)thian-4-amine?
N-(3-ethoxypropyl)thian-4-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)thian-4-amine is sourced from PubChem (CID 43394857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).