4-methyl-2-(thian-4-ylamino)pentan-1-ol

C11H23NOS — CID 61246708

IUPAC4-methyl-2-(thian-4-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCSCC1
InChIInChI=1S/C11H23NOS/c1-9(2)7-11(8-13)12-10-3-5-14-6-4-10/h9-13H,3-8H2,1-2H3
InChIKeyRJRXPDZLHATYEM-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds5

About 4-methyl-2-(thian-4-ylamino)pentan-1-ol

4-methyl-2-(thian-4-ylamino)pentan-1-ol (PubChem CID 61246708) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-methyl-2-(thian-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(thian-4-ylamino)pentan-1-ol
PubChem CID61246708
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-methyl-2-(thian-4-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCSCC1
InChIInChI=1S/C11H23NOS/c1-9(2)7-11(8-13)12-10-3-5-14-6-4-10/h9-13H,3-8H2,1-2H3
InChIKeyRJRXPDZLHATYEM-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thian-4-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(thian-4-ylamino)pentan-1-ol (CID 61246708) is 4-methyl-2-(thian-4-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(thian-4-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(thian-4-ylamino)pentan-1-ol is CC(C)CC(CO)NC1CCSCC1.
What is the InChIKey of 4-methyl-2-(thian-4-ylamino)pentan-1-ol?
The InChIKey is RJRXPDZLHATYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)7-11(8-13)12-10-3-5-14-6-4-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-(thian-4-ylamino)pentan-1-ol?
4-methyl-2-(thian-4-ylamino)pentan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thian-4-ylamino)pentan-1-ol is sourced from PubChem (CID 61246708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).