3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C16H23NS — CID 146284458

IUPAC3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESC=Cc1c(NC(=C)C(C)CC)sc2c1CCCC2
InChIInChI=1S/C16H23NS/c1-5-11(3)12(4)17-16-13(6-2)14-9-7-8-10-15(14)18-16/h6,11,17H,2,4-5,7-10H2,1,3H3
InChIKeyCWCKIEFSQBVIAP-UHFFFAOYSA-N
MW261.43 g/mol
LogP5.24
Rot. Bonds5

About 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 146284458) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID146284458
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESC=Cc1c(NC(=C)C(C)CC)sc2c1CCCC2
InChIInChI=1S/C16H23NS/c1-5-11(3)12(4)17-16-13(6-2)14-9-7-8-10-15(14)18-16/h6,11,17H,2,4-5,7-10H2,1,3H3
InChIKeyCWCKIEFSQBVIAP-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 146284479
2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418
N-(3-formyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 833794
N-(1-cyclopropylethenyl)-3-(1-ethoxyethenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 146284515
2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbaldehyde
CID 143029616
2-(3-methylbutylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69452121
2-[(4-ethoxybenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3146655
3-(1-aminoethenyl)-N-[1-[4-[3-(4-benzylanilino)-2-methylbut-3-enyl]phenyl]ethenyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 155743235
methyl 2-(2-aminobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 61254585
(2R)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-(prop-2-enylamino)butanoic acid
CID 7592918
4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-(prop-2-enylamino)butanoic acid
CID 18581155
2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 759988

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 146284458) is 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C=Cc1c(NC(=C)C(C)CC)sc2c1CCCC2.
What is the InChIKey of 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is CWCKIEFSQBVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-5-11(3)12(4)17-16-13(6-2)14-9-7-8-10-15(14)18-16/h6,11,17H,2,4-5,7-10H2,1,3H3.
What are the key properties of 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 261.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 146284458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).