N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H22N2OS — CID 79082942

IUPACN-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCN1CCOC(CNC2CCCc3sccc32)C1
InChIInChI=1S/C14H22N2OS/c1-16-6-7-17-11(10-16)9-15-13-3-2-4-14-12(13)5-8-18-14/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3
InChIKeySYKUPISDPBUINP-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.05
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 79082942) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID79082942
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCN1CCOC(CNC2CCCc3sccc32)C1
InChIInChI=1S/C14H22N2OS/c1-16-6-7-17-11(10-16)9-15-13-3-2-4-14-12(13)5-8-18-14/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3
InChIKeySYKUPISDPBUINP-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

1-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 79082528
5-[(4-methylmorpholin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108016
N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842320
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62841966
6-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79367337
N-[(3-chloro-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106816796
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
CID 62840325
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149463
N-(2-thiomorpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783260
N-methyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105156998
4,4-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79032963

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 79082942) is N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CN1CCOC(CNC2CCCc3sccc32)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is SYKUPISDPBUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16-6-7-17-11(10-16)9-15-13-3-2-4-14-12(13)5-8-18-14/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 79082942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).