(4R)-1-methyl-4-methylsulfanylazepane

C8H17NS — CID 154952924

IUPAC(4R)-1-methyl-4-methylsulfanylazepane
SMILESCS[C@@H]1CCCN(C)CC1
InChIInChI=1S/C8H17NS/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyUBQSLPCGPQRETB-MRVPVSSYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About (4R)-1-methyl-4-methylsulfanylazepane

(4R)-1-methyl-4-methylsulfanylazepane (PubChem CID 154952924) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (4R)-1-methyl-4-methylsulfanylazepane.

Molecular Properties

Compound Name(4R)-1-methyl-4-methylsulfanylazepane
PubChem CID154952924
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(4R)-1-methyl-4-methylsulfanylazepane
SMILESCS[C@@H]1CCCN(C)CC1
InChIInChI=1S/C8H17NS/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyUBQSLPCGPQRETB-MRVPVSSYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-methylsulfanylazepane?
The IUPAC name of (4R)-1-methyl-4-methylsulfanylazepane (CID 154952924) is (4R)-1-methyl-4-methylsulfanylazepane.
What is the SMILES notation for (4R)-1-methyl-4-methylsulfanylazepane?
The canonical SMILES for (4R)-1-methyl-4-methylsulfanylazepane is CS[C@@H]1CCCN(C)CC1.
What is the InChIKey of (4R)-1-methyl-4-methylsulfanylazepane?
The InChIKey is UBQSLPCGPQRETB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-1-methyl-4-methylsulfanylazepane?
(4R)-1-methyl-4-methylsulfanylazepane has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-methylsulfanylazepane is sourced from PubChem (CID 154952924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).