3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane

C19H26N2S2 — CID 97370579

IUPAC3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1
InChIInChI=1S/C19H26N2S2/c1-3-17(22-13-1)15-20-9-5-19(6-10-20)7-11-21(12-8-19)16-18-4-2-14-23-18/h1-4,13-14H,5-12,15-16H2
InChIKeyGKWNYQFOBIJVKO-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.69
Rot. Bonds4

About 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane

3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 97370579) has the molecular formula C19H26N2S2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID97370579
Molecular FormulaC19H26N2S2
Molecular Weight346.56 g/mol
Exact Mass346.15
IUPAC Name3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1
InChIInChI=1S/C19H26N2S2/c1-3-17(22-13-1)15-20-9-5-19(6-10-20)7-11-21(12-8-19)16-18-4-2-14-23-18/h1-4,13-14H,5-12,15-16H2
InChIKeyGKWNYQFOBIJVKO-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
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1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97375004
N,N-bis(1H-imidazol-2-ylmethyl)-1-[4-[[3-(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]methanamine
CID 67500194

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane (CID 97370579) is 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane is c1csc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1.
What is the InChIKey of 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is GKWNYQFOBIJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S2/c1-3-17(22-13-1)15-20-9-5-19(6-10-20)7-11-21(12-8-19)16-18-4-2-14-23-18/h1-4,13-14H,5-12,15-16H2.
What are the key properties of 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 346.56 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).