9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C16H25ClN2S — CID 64876028

IUPAC9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-12(2)14-9-18-16(7-3-4-8-16)11-19(14)10-13-5-6-15(17)20-13/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyGYTPEANBOIGLAQ-UHFFFAOYSA-N
MW312.91 g/mol
LogP4.14
Rot. Bonds3

About 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64876028) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64876028
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC Name9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-12(2)14-9-18-16(7-3-4-8-16)11-19(14)10-13-5-6-15(17)20-13/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyGYTPEANBOIGLAQ-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 106043887
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64942380
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
9-[(5-bromo-3-pyridinyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 104812531
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089

Frequently Asked Questions

What is the IUPAC name of 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64876028) is 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is GYTPEANBOIGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-12(2)14-9-18-16(7-3-4-8-16)11-19(14)10-13-5-6-15(17)20-13/h5-6,12,14,18H,3-4,7-11H2,1-2H3.
What are the key properties of 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 312.91 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).