[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium

C14H24NS+ — CID 11923129

IUPAC[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/p+1/t10-,12+,13+/m1/s1
InChIKeyBMHHUGHLZOEJOF-WXHSDQCUSA-O
MW238.42 g/mol
LogP2.94
Rot. Bonds3

About [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium

[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 11923129) has the molecular formula C14H24NS+ and a molecular weight of 238.42 g/mol. Its IUPAC name is [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID11923129
Molecular FormulaC14H24NS+
Molecular Weight238.42 g/mol
Exact Mass238.16
IUPAC Name[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/p+1/t10-,12+,13+/m1/s1
InChIKeyBMHHUGHLZOEJOF-WXHSDQCUSA-O
XLogP2.94
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

[(1R,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 11923125
cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 7473498
(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923130
(1R,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923126
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[4-(2,4-dimethylphenoxy)butyl]azanium
CID 6594061
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
2-(bromomethyl)-3-methylthiophene
CID 18463526
2-cyclobutyloxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62584380
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
(4-methoxy-3-methylphenyl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 7071651

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium (CID 11923129) is [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium is Cc1ccsc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C.
What is the InChIKey of [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is BMHHUGHLZOEJOF-WXHSDQCUSA-O. The full InChI is InChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/p+1/t10-,12+,13+/m1/s1.
What are the key properties of [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium?
[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 238.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 11923129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).