2-methyl-N-(2-methylpropoxy)thian-3-amine

C10H21NOS — CID 82711413

IUPAC2-methyl-N-(2-methylpropoxy)thian-3-amine
SMILESCC(C)CONC1CCCSC1C
InChIInChI=1S/C10H21NOS/c1-8(2)7-12-11-10-5-4-6-13-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyOICNFBDQLCLZIH-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-N-(2-methylpropoxy)thian-3-amine

2-methyl-N-(2-methylpropoxy)thian-3-amine (PubChem CID 82711413) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropoxy)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropoxy)thian-3-amine
PubChem CID82711413
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-N-(2-methylpropoxy)thian-3-amine
SMILESCC(C)CONC1CCCSC1C
InChIInChI=1S/C10H21NOS/c1-8(2)7-12-11-10-5-4-6-13-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyOICNFBDQLCLZIH-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropoxy)thian-3-amine?
The IUPAC name of 2-methyl-N-(2-methylpropoxy)thian-3-amine (CID 82711413) is 2-methyl-N-(2-methylpropoxy)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropoxy)thian-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropoxy)thian-3-amine is CC(C)CONC1CCCSC1C.
What is the InChIKey of 2-methyl-N-(2-methylpropoxy)thian-3-amine?
The InChIKey is OICNFBDQLCLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)7-12-11-10-5-4-6-13-9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropoxy)thian-3-amine?
2-methyl-N-(2-methylpropoxy)thian-3-amine has a molecular weight of 203.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropoxy)thian-3-amine is sourced from PubChem (CID 82711413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).