(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H31N3O2S — CID 97205404

IUPAC(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC)CC3)C2)csc1C
InChIInChI=1S/C20H31N3O2S/c1-5-16-15(3)26-13-17(16)19(25)23-12-11-21(4)20(14-23)8-7-18(24)22(6-2)10-9-20/h13H,5-12,14H2,1-4H3/t20-/m1/s1
InChIKeyAGWRTBMMAXZUGK-HXUWFJFHSA-N
MW377.55 g/mol
LogP2.78
Rot. Bonds3

About (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97205404) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97205404
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC)CC3)C2)csc1C
InChIInChI=1S/C20H31N3O2S/c1-5-16-15(3)26-13-17(16)19(25)23-12-11-21(4)20(14-23)8-7-18(24)22(6-2)10-9-20/h13H,5-12,14H2,1-4H3/t20-/m1/s1
InChIKeyAGWRTBMMAXZUGK-HXUWFJFHSA-N
XLogP2.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97272056
(6S)-4-(3-chloro-4-methylbenzoyl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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10-ethyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72884563
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(6S)-10-(cyclopropylmethyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97205404) is (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC)CC3)C2)csc1C.
What is the InChIKey of (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is AGWRTBMMAXZUGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-5-16-15(3)26-13-17(16)19(25)23-12-11-21(4)20(14-23)8-7-18(24)22(6-2)10-9-20/h13H,5-12,14H2,1-4H3/t20-/m1/s1.
What are the key properties of (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 377.55 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97205404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).