1-propan-2-ylsulfinylpiperidine

C8H17NOS — CID 66796350

IUPAC1-propan-2-ylsulfinylpiperidine
SMILESCC(C)S(=O)N1CCCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)11(10)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKQJDUJNLRBJYMJ-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.54
Rot. Bonds2

About 1-propan-2-ylsulfinylpiperidine

1-propan-2-ylsulfinylpiperidine (PubChem CID 66796350) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-propan-2-ylsulfinylpiperidine.

Molecular Properties

Compound Name1-propan-2-ylsulfinylpiperidine
PubChem CID66796350
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-propan-2-ylsulfinylpiperidine
SMILESCC(C)S(=O)N1CCCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)11(10)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKQJDUJNLRBJYMJ-UHFFFAOYSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfinylpiperidine?
The IUPAC name of 1-propan-2-ylsulfinylpiperidine (CID 66796350) is 1-propan-2-ylsulfinylpiperidine.
What is the SMILES notation for 1-propan-2-ylsulfinylpiperidine?
The canonical SMILES for 1-propan-2-ylsulfinylpiperidine is CC(C)S(=O)N1CCCCC1.
What is the InChIKey of 1-propan-2-ylsulfinylpiperidine?
The InChIKey is KQJDUJNLRBJYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)11(10)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfinylpiperidine?
1-propan-2-ylsulfinylpiperidine has a molecular weight of 175.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfinylpiperidine is sourced from PubChem (CID 66796350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).