4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

C11H17NOS — CID 130531663

IUPAC4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESNC1(Cc2cccs2)CCC(O)CC1
InChIInChI=1S/C11H17NOS/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h1-2,7,9,13H,3-6,8,12H2
InChIKeyDQGCXXKVHSERRL-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.92
Rot. Bonds2

About 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (PubChem CID 130531663) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
PubChem CID130531663
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESNC1(Cc2cccs2)CCC(O)CC1
InChIInChI=1S/C11H17NOS/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h1-2,7,9,13H,3-6,8,12H2
InChIKeyDQGCXXKVHSERRL-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 123413482
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (CID 130531663) is 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is NC1(Cc2cccs2)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is DQGCXXKVHSERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h1-2,7,9,13H,3-6,8,12H2.
What are the key properties of 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 130531663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).