4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol

C13H21NOS — CID 103904586

IUPAC4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
SMILESCC(Cc1cccs1)NC1CCC(O)CC1
InChIInChI=1S/C13H21NOS/c1-10(9-13-3-2-8-16-13)14-11-4-6-12(15)7-5-11/h2-3,8,10-12,14-15H,4-7,9H2,1H3
InChIKeyBHIXZKGCGJGUOZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.57
Rot. Bonds4

About 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol

4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol (PubChem CID 103904586) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
PubChem CID103904586
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
SMILESCC(Cc1cccs1)NC1CCC(O)CC1
InChIInChI=1S/C13H21NOS/c1-10(9-13-3-2-8-16-13)14-11-4-6-12(15)7-5-11/h2-3,8,10-12,14-15H,4-7,9H2,1H3
InChIKeyBHIXZKGCGJGUOZ-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 43783023
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289
1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904212
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol (CID 103904586) is 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol is CC(Cc1cccs1)NC1CCC(O)CC1.
What is the InChIKey of 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol?
The InChIKey is BHIXZKGCGJGUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(9-13-3-2-8-16-13)14-11-4-6-12(15)7-5-11/h2-3,8,10-12,14-15H,4-7,9H2,1H3.
What are the key properties of 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol?
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 103904586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).