N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane

C24H42N2O4S — CID 162271551

IUPACN-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
SMILESC.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(S(C)(=O)=O)CC32)C1
InChIInChI=1S/C23H38N2O4S.CH4/c1-23(2)9-4-10-25(14-23)13-20(26)24-21-18-12-17(30(3,28)29)8-7-16(18)11-19(21)22(27)15-5-6-15;/h15-19,21H,4-14H2,1-3H3,(H,24,26);1H4
InChIKeyBWDRJNQNQQCFPY-UHFFFAOYSA-N
MW454.68 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane

N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane (PubChem CID 162271551) has the molecular formula C24H42N2O4S and a molecular weight of 454.68 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
PubChem CID162271551
Molecular FormulaC24H42N2O4S
Molecular Weight454.68 g/mol
Exact Mass454.29
IUPAC NameN-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane
SMILESC.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(S(C)(=O)=O)CC32)C1
InChIInChI=1S/C23H38N2O4S.CH4/c1-23(2)9-4-10-25(14-23)13-20(26)24-21-18-12-17(30(3,28)29)8-7-16(18)11-19(21)22(27)15-5-6-15;/h15-19,21H,4-14H2,1-3H3,(H,24,26);1H4
InChIKeyBWDRJNQNQQCFPY-UHFFFAOYSA-N
XLogP3.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane (CID 162271551) is N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane is C.CC1(C)CCCN(CC(=O)NC2C(C(=O)C3CC3)CC3CCC(S(C)(=O)=O)CC32)C1.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
The InChIKey is BWDRJNQNQQCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4S.CH4/c1-23(2)9-4-10-25(14-23)13-20(26)24-21-18-12-17(30(3,28)29)8-7-16(18)11-19(21)22(27)15-5-6-15;/h15-19,21H,4-14H2,1-3H3,(H,24,26);1H4.
What are the key properties of N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane?
N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane has a molecular weight of 454.68 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(3,3-dimethylpiperidin-1-yl)acetamide;methane is sourced from PubChem (CID 162271551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).