2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol

C14H21NOS — CID 62841972

IUPAC2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCCc2sccc21
InChIInChI=1S/C14H21NOS/c16-13-6-2-1-4-12(13)15-11-5-3-7-14-10(11)8-9-17-14/h8-9,11-13,15-16H,1-7H2
InChIKeyKDJZTQPBTVVZLA-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.02
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol

2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol (PubChem CID 62841972) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol
PubChem CID62841972
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCCc2sccc21
InChIInChI=1S/C14H21NOS/c16-13-6-2-1-4-12(13)15-11-5-3-7-14-10(11)8-9-17-14/h8-9,11-13,15-16H,1-7H2
InChIKeyKDJZTQPBTVVZLA-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5,6,7-Tetrahydro-1-benzothien-3-ylmethyl)amino]propan-1-ol
CID 50970832
4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-4-ylmethanol
CID 71777789
4,5,6,7-Tetrahydrothieno[2,3-c]pyridin-5-ylmethanol;hydrochloride
CID 177798385
4-[[5-(4-Fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol
CID 47018366
2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}cyclohexan-1-ol
CID 60714966
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 58591409
4-(3,5-Difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 59599265
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-(thiophen-2-ylmethylamino)butan-2-ol
CID 68608123
3-Amino-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 69526198
(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-2-ylcyclohexyl)amino]butan-2-ol
CID 70332374
(2S)-4-(3,5-difluorophenyl)-1-[[1-(4-prop-1-en-2-ylthiophen-2-yl)cyclohexyl]amino]butan-2-ol
CID 70332382
(2S)-4-(3,5-difluorophenyl)-1-[[1-(4-ethylthiophen-2-yl)cyclohexyl]amino]butan-2-ol
CID 70332771

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol (CID 62841972) is 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol is OC1CCCCC1NC1CCCc2sccc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol?
The InChIKey is KDJZTQPBTVVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-13-6-2-1-4-12(13)15-11-5-3-7-14-10(11)8-9-17-14/h8-9,11-13,15-16H,1-7H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol?
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 62841972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).