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

C12H19NOS — CID 103922414

IUPAC(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CCCc2sccc21
InChIInChI=1S/C12H19NOS/c1-2-9(8-14)13-11-4-3-5-12-10(11)6-7-15-12/h6-7,9,11,13-14H,2-5,8H2,1H3/t9-,11?/m1/s1
InChIKeyCDULWMHFTBSHAA-BFHBGLAWSA-N
MW225.36 g/mol
LogP2.49
Rot. Bonds4

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

(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (PubChem CID 103922414) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
PubChem CID103922414
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CCCc2sccc21
InChIInChI=1S/C12H19NOS/c1-2-9(8-14)13-11-4-3-5-12-10(11)6-7-15-12/h6-7,9,11,13-14H,2-5,8H2,1H3/t9-,11?/m1/s1
InChIKeyCDULWMHFTBSHAA-BFHBGLAWSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol with MolForge

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Related Compounds

4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 114210469
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentanenitrile
CID 62842678
4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103785508
(2R)-2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 104868746
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]phenol
CID 62841470
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842628
2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
CID 81419452
N-[(1R)-1-cyclopentylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81393881
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 62840901
N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81351326
(2S)-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]butan-1-ol
CID 104980858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol (CID 103922414) is (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is CC[C@H](CO)NC1CCCc2sccc21.
What is the InChIKey of (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
The InChIKey is CDULWMHFTBSHAA-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-9(8-14)13-11-4-3-5-12-10(11)6-7-15-12/h6-7,9,11,13-14H,2-5,8H2,1H3/t9-,11?/m1/s1.
What are the key properties of (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol?
(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol is sourced from PubChem (CID 103922414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).