N-hexylthian-4-amine

C11H23NS — CID 43394826

IUPACN-hexylthian-4-amine
SMILESCCCCCCNC1CCSCC1
InChIInChI=1S/C11H23NS/c1-2-3-4-5-8-12-11-6-9-13-10-7-11/h11-12H,2-10H2,1H3
InChIKeyAKWFMTZIWRFYBW-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds6

About N-hexylthian-4-amine

N-hexylthian-4-amine (PubChem CID 43394826) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-hexylthian-4-amine.

Molecular Properties

Compound NameN-hexylthian-4-amine
PubChem CID43394826
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-hexylthian-4-amine
SMILESCCCCCCNC1CCSCC1
InChIInChI=1S/C11H23NS/c1-2-3-4-5-8-12-11-6-9-13-10-7-11/h11-12H,2-10H2,1H3
InChIKeyAKWFMTZIWRFYBW-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexylthian-4-amine?
The IUPAC name of N-hexylthian-4-amine (CID 43394826) is N-hexylthian-4-amine.
What is the SMILES notation for N-hexylthian-4-amine?
The canonical SMILES for N-hexylthian-4-amine is CCCCCCNC1CCSCC1.
What is the InChIKey of N-hexylthian-4-amine?
The InChIKey is AKWFMTZIWRFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-3-4-5-8-12-11-6-9-13-10-7-11/h11-12H,2-10H2,1H3.
What are the key properties of N-hexylthian-4-amine?
N-hexylthian-4-amine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylthian-4-amine is sourced from PubChem (CID 43394826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).