(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine

C9H19NS — CID 15063104

IUPAC(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCC(C)S[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyDGRNUBMTHWXVDP-SECBINFHSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds2

About (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine

(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine (PubChem CID 15063104) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine
PubChem CID15063104
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCC(C)S[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyDGRNUBMTHWXVDP-SECBINFHSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine?
The IUPAC name of (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine (CID 15063104) is (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine.
What is the SMILES notation for (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine?
The canonical SMILES for (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine is CC(C)S[C@@H]1CCCN(C)C1.
What is the InChIKey of (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine?
The InChIKey is DGRNUBMTHWXVDP-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine?
(3R)-1-methyl-3-propan-2-ylsulfanylpiperidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-propan-2-ylsulfanylpiperidine is sourced from PubChem (CID 15063104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).