N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine

C14H17NS — CID 170142680

IUPACN-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine
SMILESC=C(NC)C1=CC2SC(/C=C\C)=CC2C=C1
InChIInChI=1S/C14H17NS/c1-4-5-13-8-12-7-6-11(10(2)15-3)9-14(12)16-13/h4-9,12,14-15H,2H2,1,3H3/b5-4-
InChIKeyOYPWXWPQAZYUCF-PLNGDYQASA-N
MW231.36 g/mol
LogP3.41
Rot. Bonds3

About N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine

N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine (PubChem CID 170142680) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine
PubChem CID170142680
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine
SMILESC=C(NC)C1=CC2SC(/C=C\C)=CC2C=C1
InChIInChI=1S/C14H17NS/c1-4-5-13-8-12-7-6-11(10(2)15-3)9-14(12)16-13/h4-9,12,14-15H,2H2,1,3H3/b5-4-
InChIKeyOYPWXWPQAZYUCF-PLNGDYQASA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine with MolForge

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Related Compounds

6-Methyl-4-(3-methyl-2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine
CID 70892661
(4S)-6-methyl-4-(3-methyl-2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine
CID 71080621
N,10-dimethyl-2,2-dimethylidene-2lambda6-thiatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-5-amine
CID 141959082
Ethane;2-(2-methylpropyl)-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 144145266
N-methyl-5,6-dihydro-1-benzothiophen-3-amine
CID 144698981
1-[3-(3,5-Dimethyl-3,4-dihydrothiopyran-2-ylidene)prop-1-en-2-ylsulfanyl]but-1-en-2-yl-methylazanium
CID 163595414
7-Methyl-2,3,7,7a-tetrahydro-1,3-benzothiazole
CID 164071801
2-but-1-en-2-yl-N-propyl-3a,4-dihydro-1-benzothiophen-3-amine
CID 164080345
3-[(1Z)-2-but-1-en-2-ylsulfanyl-3-methylbuta-1,3-dienyl]-5,6-dihydro-1H-indole
CID 166774489
N-methyl-4-(methylsulfanylmethyl)cyclohexa-1,5-dien-1-amine
CID 166777730
N-methyl-1-(3-methylbutan-2-ylsulfanyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)methanamine
CID 166992725
1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
CID 170286317

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine?
The IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine (CID 170142680) is N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine?
The canonical SMILES for N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine is C=C(NC)C1=CC2SC(/C=C\C)=CC2C=C1.
What is the InChIKey of N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine?
The InChIKey is OYPWXWPQAZYUCF-PLNGDYQASA-N. The full InChI is InChI=1S/C14H17NS/c1-4-5-13-8-12-7-6-11(10(2)15-3)9-14(12)16-13/h4-9,12,14-15H,2H2,1,3H3/b5-4-.
What are the key properties of N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine?
N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine has a molecular weight of 231.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine is sourced from PubChem (CID 170142680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).