(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride

C24H40ClN3O4S — CID 67299295

IUPAC(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride
SMILESCCCC1(S(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@@H]2CC)CC1.Cl
InChIInChI=1S/C24H39N3O4S.ClH/c1-5-8-21(11-12-21)32(30,31)27-19(29)24(13-16(24)6-2)26-18(28)17-14-23(15-25-17)20(3,4)22(23)9-7-10-22;/h16-17,25H,5-15H2,1-4H3,(H,26,28)(H,27,29);1H/t16-,17-,23+,24+;/m0./s1
InChIKeyGMARVUAOKANWER-AJUIVTLSSA-N
MW502.12 g/mol
LogP3.03
Rot. Bonds8

About (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride

(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride (PubChem CID 67299295) has the molecular formula C24H40ClN3O4S and a molecular weight of 502.12 g/mol. Its IUPAC name is (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride
PubChem CID67299295
Molecular FormulaC24H40ClN3O4S
Molecular Weight502.12 g/mol
Exact Mass501.24
IUPAC Name(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride
SMILESCCCC1(S(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@@H]2CC)CC1.Cl
InChIInChI=1S/C24H39N3O4S.ClH/c1-5-8-21(11-12-21)32(30,31)27-19(29)24(13-16(24)6-2)26-18(28)17-14-23(15-25-17)20(3,4)22(23)9-7-10-22;/h16-17,25H,5-15H2,1-4H3,(H,26,28)(H,27,29);1H/t16-,17-,23+,24+;/m0./s1
InChIKeyGMARVUAOKANWER-AJUIVTLSSA-N
XLogP3.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.12
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride?
The IUPAC name of (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride (CID 67299295) is (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride.
What is the SMILES notation for (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride?
The canonical SMILES for (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride is CCCC1(S(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@@H]2CC)CC1.Cl.
What is the InChIKey of (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride?
The InChIKey is GMARVUAOKANWER-AJUIVTLSSA-N. The full InChI is InChI=1S/C24H39N3O4S.ClH/c1-5-8-21(11-12-21)32(30,31)27-19(29)24(13-16(24)6-2)26-18(28)17-14-23(15-25-17)20(3,4)22(23)9-7-10-22;/h16-17,25H,5-15H2,1-4H3,(H,26,28)(H,27,29);1H/t16-,17-,23+,24+;/m0./s1.
What are the key properties of (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride?
(5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride has a molecular weight of 502.12 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-N-[(1R,2S)-2-ethyl-1-[(1-propylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide;hydrochloride is sourced from PubChem (CID 67299295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).