1-methyl-2-thiatricyclo[3.3.1.13,7]decane

C10H16S — CID 74407407

IUPAC1-methyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3CC(CC(C3)S1)C2
InChIInChI=1S/C10H16S/c1-10-5-7-2-8(6-10)4-9(3-7)11-10/h7-9H,2-6H2,1H3
InChIKeyHIZRKFLOVGDNQL-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.07
Rot. Bonds

About 1-methyl-2-thiatricyclo[3.3.1.13,7]decane

1-methyl-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 74407407) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 1-methyl-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-methyl-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID74407407
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name1-methyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3CC(CC(C3)S1)C2
InChIInChI=1S/C10H16S/c1-10-5-7-2-8(6-10)4-9(3-7)11-10/h7-9H,2-6H2,1H3
InChIKeyHIZRKFLOVGDNQL-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiaadamantane
CID 136105
Methyl adamantyl sulfide
CID 12011607
1,3,5-Trimethyl-2-thiaadamantane
CID 129773269
1,3-Dimethyl-2-thiaadamantane
CID 129773359
1,5,7-Trimethyl-2-thiaadamantane
CID 129773360
5,7-Dimethyl-2-thiaadamantane
CID 129773362
1,5-Dimethyl-2-thiaadamantane
CID 129773363
3,3,6-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 163075061
4-Methyl-2-thiaadamantane
CID 6427691
4,8-Dibutyl-2-thiaadamantane
CID 6428489
4,8-Diethyl-2-thiaadamantane
CID 6428491
4,8-Dimethyl-2-thiaadamantane
CID 6428493

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-methyl-2-thiatricyclo[3.3.1.13,7]decane (CID 74407407) is 1-methyl-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-methyl-2-thiatricyclo[3.3.1.13,7]decane is CC12CC3CC(CC(C3)S1)C2.
What is the InChIKey of 1-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is HIZRKFLOVGDNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-10-5-7-2-8(6-10)4-9(3-7)11-10/h7-9H,2-6H2,1H3.
What are the key properties of 1-methyl-2-thiatricyclo[3.3.1.13,7]decane?
1-methyl-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 168.30 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 74407407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).