2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol

C14H23NOS — CID 82314559

IUPAC2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NC1CCCC1)C(O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-10(2)13(15-11-6-3-4-7-11)14(16)12-8-5-9-17-12/h5,8-11,13-16H,3-4,6-7H2,1-2H3
InChIKeyBUYNPKGBKKLCPP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.34
Rot. Bonds5

About 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol

2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 82314559) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
PubChem CID82314559
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NC1CCCC1)C(O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-10(2)13(15-11-6-3-4-7-11)14(16)12-8-5-9-17-12/h5,8-11,13-16H,3-4,6-7H2,1-2H3
InChIKeyBUYNPKGBKKLCPP-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

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Related Compounds

2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol (CID 82314559) is 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol is CC(C)C(NC1CCCC1)C(O)c1cccs1.
What is the InChIKey of 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is BUYNPKGBKKLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)13(15-11-6-3-4-7-11)14(16)12-8-5-9-17-12/h5,8-11,13-16H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-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-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 82314559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).