1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C19H27N3O2S — CID 97495934

IUPAC1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2CC1CC1
InChIInChI=1S/C19H27N3O2S/c1-14-5-12-25-16(14)17(23)21-8-6-19(7-9-21)18(24)20(2)10-11-22(19)13-15-3-4-15/h5,12,15H,3-4,6-11,13H2,1-2H3
InChIKeySFPGSSUYUQLGMA-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.22
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495934) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495934
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2CC1CC1
InChIInChI=1S/C19H27N3O2S/c1-14-5-12-25-16(14)17(23)21-8-6-19(7-9-21)18(24)20(2)10-11-22(19)13-15-3-4-15/h5,12,15H,3-4,6-11,13H2,1-2H3
InChIKeySFPGSSUYUQLGMA-UHFFFAOYSA-N
XLogP2.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95615876
[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 124819424
[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 97458979
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 131659692
13-(2-methoxyethyl)-3-methyl-9-(3-methylthiophene-2-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;2,2,2-trifluoroacetic acid
CID 155836000

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495934) is 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is SFPGSSUYUQLGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-5-12-25-16(14)17(23)21-8-6-19(7-9-21)18(24)20(2)10-11-22(19)13-15-3-4-15/h5,12,15H,3-4,6-11,13H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 361.51 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).