[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol

C13H21NOS — CID 115927963

IUPAC[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
SMILESCCC(Cc1cccs1)NC1(CO)CCC1
InChIInChI=1S/C13H21NOS/c1-2-11(9-12-5-3-8-16-12)14-13(10-15)6-4-7-13/h3,5,8,11,14-15H,2,4,6-7,9-10H2,1H3
InChIKeyDUMCRCRXOHGGEM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.57
Rot. Bonds6

About [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol

[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol (PubChem CID 115927963) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
PubChem CID115927963
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
SMILESCCC(Cc1cccs1)NC1(CO)CCC1
InChIInChI=1S/C13H21NOS/c1-2-11(9-12-5-3-8-16-12)14-13(10-15)6-4-7-13/h3,5,8,11,14-15H,2,4,6-7,9-10H2,1H3
InChIKeyDUMCRCRXOHGGEM-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pentan-3-ylamino)cyclopentyl]methanol
CID 78991037
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429
2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
CID 115916040
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
CID 103556889
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115878434

Frequently Asked Questions

What is the IUPAC name of [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol?
The IUPAC name of [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol (CID 115927963) is [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol.
What is the SMILES notation for [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol?
The canonical SMILES for [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol is CCC(Cc1cccs1)NC1(CO)CCC1.
What is the InChIKey of [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol?
The InChIKey is DUMCRCRXOHGGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-11(9-12-5-3-8-16-12)14-13(10-15)6-4-7-13/h3,5,8,11,14-15H,2,4,6-7,9-10H2,1H3.
What are the key properties of [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol?
[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol has a molecular weight of 239.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol is sourced from PubChem (CID 115927963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).