[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol

C16H23NOS — CID 112551302

IUPAC[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CSc3ccccc32)CCCCC1
InChIInChI=1S/C16H23NOS/c18-12-16(8-4-1-5-9-16)11-17-14-10-19-15-7-3-2-6-13(14)15/h2-3,6-7,14,17-18H,1,4-5,8-12H2
InChIKeyBUYGABPKIZFCRQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.37
Rot. Bonds4

About [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol

[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol (PubChem CID 112551302) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol
PubChem CID112551302
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CSc3ccccc32)CCCCC1
InChIInChI=1S/C16H23NOS/c18-12-16(8-4-1-5-9-16)11-17-14-10-19-15-7-3-2-6-13(14)15/h2-3,6-7,14,17-18H,1,4-5,8-12H2
InChIKeyBUYGABPKIZFCRQ-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol (CID 112551302) is [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol is OCC1(CNC2CSc3ccccc32)CCCCC1.
What is the InChIKey of [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is BUYGABPKIZFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-12-16(8-4-1-5-9-16)11-17-14-10-19-15-7-3-2-6-13(14)15/h2-3,6-7,14,17-18H,1,4-5,8-12H2.
What are the key properties of [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol?
[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 277.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 112551302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).