2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol

C14H23NOS — CID 112633907

IUPAC2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
SMILESCCCC(NC1CC(O)C1(C)C)c1cccs1
InChIInChI=1S/C14H23NOS/c1-4-6-10(11-7-5-8-17-11)15-12-9-13(16)14(12,2)3/h5,7-8,10,12-13,15-16H,4,6,9H2,1-3H3
InChIKeyZKCDKEZZMCWJLM-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.34
Rot. Bonds5

About 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol

2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol (PubChem CID 112633907) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
PubChem CID112633907
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
SMILESCCCC(NC1CC(O)C1(C)C)c1cccs1
InChIInChI=1S/C14H23NOS/c1-4-6-10(11-7-5-8-17-11)15-12-9-13(16)14(12,2)3/h5,7-8,10,12-13,15-16H,4,6,9H2,1-3H3
InChIKeyZKCDKEZZMCWJLM-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-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

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64852889
2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252071

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol (CID 112633907) is 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol is CCCC(NC1CC(O)C1(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol?
The InChIKey is ZKCDKEZZMCWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-6-10(11-7-5-8-17-11)15-12-9-13(16)14(12,2)3/h5,7-8,10,12-13,15-16H,4,6,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).