2-(propan-2-ylamino)-2-(thian-4-yl)ethanol

C10H21NOS — CID 121367682

IUPAC2-(propan-2-ylamino)-2-(thian-4-yl)ethanol
SMILESCC(C)NC(CO)C1CCSCC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-10(7-12)9-3-5-13-6-4-9/h8-12H,3-7H2,1-2H3
InChIKeyHQDOMGPALAHXII-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds4

About 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol

2-(propan-2-ylamino)-2-(thian-4-yl)ethanol (PubChem CID 121367682) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-2-(thian-4-yl)ethanol
PubChem CID121367682
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(propan-2-ylamino)-2-(thian-4-yl)ethanol
SMILESCC(C)NC(CO)C1CCSCC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-10(7-12)9-3-5-13-6-4-9/h8-12H,3-7H2,1-2H3
InChIKeyHQDOMGPALAHXII-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol?
The IUPAC name of 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol (CID 121367682) is 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol?
The canonical SMILES for 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol is CC(C)NC(CO)C1CCSCC1.
What is the InChIKey of 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol?
The InChIKey is HQDOMGPALAHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)11-10(7-12)9-3-5-13-6-4-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol?
2-(propan-2-ylamino)-2-(thian-4-yl)ethanol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 121367682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).