3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol

C15H18ClNOS2 — CID 43792331

IUPAC3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC(c2cccs2)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H18ClNOS2/c16-14-7-6-13(20-14)15(12-5-2-8-19-12)17-10-3-1-4-11(18)9-10/h2,5-8,10-11,15,17-18H,1,3-4,9H2
InChIKeyUNHXBHLPZZNEOL-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.45
Rot. Bonds4

About 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol

3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol (PubChem CID 43792331) has the molecular formula C15H18ClNOS2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol
PubChem CID43792331
Molecular FormulaC15H18ClNOS2
Molecular Weight327.90 g/mol
Exact Mass327.05
IUPAC Name3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC(c2cccs2)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H18ClNOS2/c16-14-7-6-13(20-14)15(12-5-2-8-19-12)17-10-3-1-4-11(18)9-10/h2,5-8,10-11,15,17-18H,1,3-4,9H2
InChIKeyUNHXBHLPZZNEOL-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996037
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
CID 114503172
5-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]thiophene-2-sulfonamide
CID 95984008
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 103917562
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol (CID 43792331) is 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol is OC1CCCC(NC(c2cccs2)c2ccc(Cl)s2)C1.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol?
The InChIKey is UNHXBHLPZZNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS2/c16-14-7-6-13(20-14)15(12-5-2-8-19-12)17-10-3-1-4-11(18)9-10/h2,5-8,10-11,15,17-18H,1,3-4,9H2.
What are the key properties of 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol?
3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol has a molecular weight of 327.90 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 43792331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).