[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol

C13H19NOS — CID 81343397

IUPAC[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCCc3sccc32)CC1
InChIInChI=1S/C13H19NOS/c15-9-13(5-6-13)8-14-11-2-1-3-12-10(11)4-7-16-12/h4,7,11,14-15H,1-3,5-6,8-9H2
InChIKeyQALGOSBTRBNQPX-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.49
Rot. Bonds4

About [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol

[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol (PubChem CID 81343397) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
PubChem CID81343397
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCCc3sccc32)CC1
InChIInChI=1S/C13H19NOS/c15-9-13(5-6-13)8-14-11-2-1-3-12-10(11)4-7-16-12/h4,7,11,14-15H,1-3,5-6,8-9H2
InChIKeyQALGOSBTRBNQPX-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol with MolForge

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107269650
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
CID 62839954
[3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]phenyl]methanol
CID 103781819
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
CID 81419452
N'-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propane-1,3-diamine
CID 62842141
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]pentan-3-ol
CID 65108449
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
CID 62842148
N-[(3,5-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840612
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethylurea
CID 83109887

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol (CID 81343397) is [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol is OCC1(CNC2CCCc3sccc32)CC1.
What is the InChIKey of [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is QALGOSBTRBNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-9-13(5-6-13)8-14-11-2-1-3-12-10(11)4-7-16-12/h4,7,11,14-15H,1-3,5-6,8-9H2.
What are the key properties of [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol?
[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 237.37 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 [1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 81343397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).