ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]

C14H23NS — CID 142015041

IUPACethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
SMILESC1=CC2=C(CC1)SCC21CCNCC1.CC
InChIInChI=1S/C12H17NS.C2H6/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12;1-2/h1,3,13H,2,4-9H2;1-2H3
InChIKeyWNHKSKWYHQQSPC-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds

About ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]

ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] (PubChem CID 142015041) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine].

Molecular Properties

Compound Nameethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
PubChem CID142015041
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Nameethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
SMILESC1=CC2=C(CC1)SCC21CCNCC1.CC
InChIInChI=1S/C12H17NS.C2H6/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12;1-2/h1,3,13H,2,4-9H2;1-2H3
InChIKeyWNHKSKWYHQQSPC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] with MolForge

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Related Compounds

3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
N-pentyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91300174
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3,4-Bis(ethenyl)-1-thia-8-azaspiro[4.5]dec-3-ene
CID 141834193
Ethane;3-ethenyl-4-methyl-2-methylsulfanyl-8-azaspiro[4.5]dec-3-ene
CID 141908181
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
3,4-Bis(ethenyl)-8-methyl-2-thia-8-azaspiro[4.5]dec-3-ene
CID 141944330
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 142015385
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane;ethene
CID 142015698
Spiro[2,8-dihydrocyclohepta[b]thiophene-3,4'-piperidine];hydrate
CID 142138352

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]?
The IUPAC name of ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] (CID 142015041) is ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine].
What is the SMILES notation for ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]?
The canonical SMILES for ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] is C1=CC2=C(CC1)SCC21CCNCC1.CC.
What is the InChIKey of ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]?
The InChIKey is WNHKSKWYHQQSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS.C2H6/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12;1-2/h1,3,13H,2,4-9H2;1-2H3.
What are the key properties of ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]?
ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] has a molecular weight of 237.41 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine] is sourced from PubChem (CID 142015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).