1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane

C16H26N2S — CID 97374456

IUPAC1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CCCCN3C)CC2)s1
InChIInChI=1S/C16H26N2S/c1-14-5-6-15(19-14)13-18-11-8-16(9-12-18)7-3-4-10-17(16)2/h5-6H,3-4,7-13H2,1-2H3
InChIKeyLMVPZWYVKMSTQB-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.51
Rot. Bonds2

About 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane

1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane (PubChem CID 97374456) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
PubChem CID97374456
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CCCCN3C)CC2)s1
InChIInChI=1S/C16H26N2S/c1-14-5-6-15(19-14)13-18-11-8-16(9-12-18)7-3-4-10-17(16)2/h5-6H,3-4,7-13H2,1-2H3
InChIKeyLMVPZWYVKMSTQB-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97372630
1-methyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155852550
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493760
1-(cyclopropylmethyl)-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155845145
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370190
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
CID 3642631
6-methyl-9-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649133
[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155873989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane (CID 97374456) is 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane is Cc1ccc(CN2CCC3(CCCCN3C)CC2)s1.
What is the InChIKey of 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane?
The InChIKey is LMVPZWYVKMSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-14-5-6-15(19-14)13-18-11-8-16(9-12-18)7-3-4-10-17(16)2/h5-6H,3-4,7-13H2,1-2H3.
What are the key properties of 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane?
1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane has a molecular weight of 278.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97374456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).