4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol

C12H19NOS — CID 116941904

IUPAC4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
SMILESCc1ccsc1C(N)C1CCC(O)CC1
InChIInChI=1S/C12H19NOS/c1-8-6-7-15-12(8)11(13)9-2-4-10(14)5-3-9/h6-7,9-11,14H,2-5,13H2,1H3
InChIKeyWXIHCONCINWDNB-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.61
Rot. Bonds2

About 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol

4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol (PubChem CID 116941904) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
PubChem CID116941904
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
SMILESCc1ccsc1C(N)C1CCC(O)CC1
InChIInChI=1S/C12H19NOS/c1-8-6-7-15-12(8)11(13)9-2-4-10(14)5-3-9/h6-7,9-11,14H,2-5,13H2,1H3
InChIKeyWXIHCONCINWDNB-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 81329828
1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505344
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
[(3-methylcyclopentyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105233223
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol (CID 116941904) is 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol is Cc1ccsc1C(N)C1CCC(O)CC1.
What is the InChIKey of 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is WXIHCONCINWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-6-7-15-12(8)11(13)9-2-4-10(14)5-3-9/h6-7,9-11,14H,2-5,13H2,1H3.
What are the key properties of 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol?
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116941904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).