10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane

C18H24N2S — CID 64869502

IUPAC10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
SMILESc1ccc2c(CN3CCCNC4(CCCC4)C3)csc2c1
InChIInChI=1S/C18H24N2S/c1-2-7-17-16(6-1)15(13-21-17)12-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,13,19H,3-5,8-12,14H2
InChIKeyDWIMQVRZMVBRNG-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.01
Rot. Bonds2

About 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane

10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 64869502) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
PubChem CID64869502
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
SMILESc1ccc2c(CN3CCCNC4(CCCC4)C3)csc2c1
InChIInChI=1S/C18H24N2S/c1-2-7-17-16(6-1)15(13-21-17)12-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,13,19H,3-5,8-12,14H2
InChIKeyDWIMQVRZMVBRNG-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64858031
10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107310531
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 79232566
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
11-[(2,6-dichlorophenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64859040
2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856

Frequently Asked Questions

What is the IUPAC name of 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane (CID 64869502) is 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane is c1ccc2c(CN3CCCNC4(CCCC4)C3)csc2c1.
What is the InChIKey of 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is DWIMQVRZMVBRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-7-17-16(6-1)15(13-21-17)12-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,13,19H,3-5,8-12,14H2.
What are the key properties of 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane?
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 300.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64869502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).