5,5-dimethyl-N-propan-2-yloxythian-3-amine

C10H21NOS — CID 130702667

IUPAC5,5-dimethyl-N-propan-2-yloxythian-3-amine
SMILESCC(C)ONC1CSCC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)12-11-9-5-10(3,4)7-13-6-9/h8-9,11H,5-7H2,1-4H3
InChIKeyBNXKFTXZMJPHNT-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.45
Rot. Bonds3

About 5,5-dimethyl-N-propan-2-yloxythian-3-amine

5,5-dimethyl-N-propan-2-yloxythian-3-amine (PubChem CID 130702667) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 5,5-dimethyl-N-propan-2-yloxythian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-propan-2-yloxythian-3-amine
PubChem CID130702667
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name5,5-dimethyl-N-propan-2-yloxythian-3-amine
SMILESCC(C)ONC1CSCC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)12-11-9-5-10(3,4)7-13-6-9/h8-9,11H,5-7H2,1-4H3
InChIKeyBNXKFTXZMJPHNT-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 5,5-dimethyl-N-propan-2-yloxythian-3-amine?
The IUPAC name of 5,5-dimethyl-N-propan-2-yloxythian-3-amine (CID 130702667) is 5,5-dimethyl-N-propan-2-yloxythian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-propan-2-yloxythian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-propan-2-yloxythian-3-amine is CC(C)ONC1CSCC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-N-propan-2-yloxythian-3-amine?
The InChIKey is BNXKFTXZMJPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)12-11-9-5-10(3,4)7-13-6-9/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-propan-2-yloxythian-3-amine?
5,5-dimethyl-N-propan-2-yloxythian-3-amine has a molecular weight of 203.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propan-2-yloxythian-3-amine is sourced from PubChem (CID 130702667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).