2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane

C16H29NS — CID 142276554

IUPAC2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
SMILESCC(C)C(C)C.CC1CCc2cnccc2C1.S
InChIInChI=1S/C10H13N.C6H14.H2S/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;5-6H,1-4H3;1H2
InChIKeyZTXBVZLYCNRZRW-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.62
Rot. Bonds1

About 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane

2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane (PubChem CID 142276554) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane.

Molecular Properties

Compound Name2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
PubChem CID142276554
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
SMILESCC(C)C(C)C.CC1CCc2cnccc2C1.S
InChIInChI=1S/C10H13N.C6H14.H2S/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;5-6H,1-4H3;1H2
InChIKeyZTXBVZLYCNRZRW-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 142220956
7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
CID 169193360
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline
CID 139478548
3-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine
CID 155324064
6-tert-butyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 69281677
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
ethane;2-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 143028391
1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline
CID 129060155
1-(6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)ethanamine
CID 112714450
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane?
The IUPAC name of 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane (CID 142276554) is 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane.
What is the SMILES notation for 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane?
The canonical SMILES for 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane is CC(C)C(C)C.CC1CCc2cnccc2C1.S.
What is the InChIKey of 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane?
The InChIKey is ZTXBVZLYCNRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C6H14.H2S/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;5-6H,1-4H3;1H2.
What are the key properties of 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane?
2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane has a molecular weight of 267.48 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane is sourced from PubChem (CID 142276554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).