1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol

C14H23NOS — CID 54952846

IUPAC1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(Cc1ccsc1)NCC1(O)CCCCC1
InChIInChI=1S/C14H23NOS/c1-12(9-13-5-8-17-10-13)15-11-14(16)6-3-2-4-7-14/h5,8,10,12,15-16H,2-4,6-7,9,11H2,1H3
InChIKeyQTRTYJFCAHRVHF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.96
Rot. Bonds5

About 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol

1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 54952846) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID54952846
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(Cc1ccsc1)NCC1(O)CCCCC1
InChIInChI=1S/C14H23NOS/c1-12(9-13-5-8-17-10-13)15-11-14(16)6-3-2-4-7-14/h5,8,10,12,15-16H,2-4,6-7,9,11H2,1H3
InChIKeyQTRTYJFCAHRVHF-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 103452194
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
[1-(1-methylcyclohexyl)-2-thiophen-3-ylethyl]hydrazine
CID 106831167

Frequently Asked Questions

What is the IUPAC name of 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol (CID 54952846) is 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol is CC(Cc1ccsc1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is QTRTYJFCAHRVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12(9-13-5-8-17-10-13)15-11-14(16)6-3-2-4-7-14/h5,8,10,12,15-16H,2-4,6-7,9,11H2,1H3.
What are the key properties of 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol?
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 54952846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).