7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol

C14H21NOS — CID 118200045

IUPAC7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1cccs1)C(O)C2
InChIInChI=1S/C14H21NOS/c1-13(2)10-5-6-14(13,12(16)8-10)15-9-11-4-3-7-17-11/h3-4,7,10,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyOHNSUNXUACGRND-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.78
Rot. Bonds3

About 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol

7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol (PubChem CID 118200045) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
PubChem CID118200045
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1cccs1)C(O)C2
InChIInChI=1S/C14H21NOS/c1-13(2)10-5-6-14(13,12(16)8-10)15-9-11-4-3-7-17-11/h3-4,7,10,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyOHNSUNXUACGRND-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 14559512
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
CID 61057016
4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 62708816
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379549
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol (CID 118200045) is 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(NCc1cccs1)C(O)C2.
What is the InChIKey of 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is OHNSUNXUACGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-13(2)10-5-6-14(13,12(16)8-10)15-9-11-4-3-7-17-11/h3-4,7,10,12,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol?
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 118200045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).