1-cyclopropyl-2-(thian-3-ylamino)ethanol

C10H19NOS — CID 63295321

IUPAC1-cyclopropyl-2-(thian-3-ylamino)ethanol
SMILESOC(CNC1CCCSC1)C1CC1
InChIInChI=1S/C10H19NOS/c12-10(8-3-4-8)6-11-9-2-1-5-13-7-9/h8-12H,1-7H2
InChIKeyVQGCMBZWOPMHSO-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.24
Rot. Bonds4

About 1-cyclopropyl-2-(thian-3-ylamino)ethanol

1-cyclopropyl-2-(thian-3-ylamino)ethanol (PubChem CID 63295321) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(thian-3-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(thian-3-ylamino)ethanol
PubChem CID63295321
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-cyclopropyl-2-(thian-3-ylamino)ethanol
SMILESOC(CNC1CCCSC1)C1CC1
InChIInChI=1S/C10H19NOS/c12-10(8-3-4-8)6-11-9-2-1-5-13-7-9/h8-12H,1-7H2
InChIKeyVQGCMBZWOPMHSO-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(thian-3-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(thian-3-ylamino)ethanol (CID 63295321) is 1-cyclopropyl-2-(thian-3-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(thian-3-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(thian-3-ylamino)ethanol is OC(CNC1CCCSC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(thian-3-ylamino)ethanol?
The InChIKey is VQGCMBZWOPMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(8-3-4-8)6-11-9-2-1-5-13-7-9/h8-12H,1-7H2.
What are the key properties of 1-cyclopropyl-2-(thian-3-ylamino)ethanol?
1-cyclopropyl-2-(thian-3-ylamino)ethanol has a molecular weight of 201.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(thian-3-ylamino)ethanol is sourced from PubChem (CID 63295321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).