N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide

C24H34N2O4S — CID 91906221

IUPACN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H34N2O4S/c27-24(19-5-6-19)26(22-11-15-30-16-12-22)21-9-13-25(14-10-21)31(28,29)23-8-7-18-3-1-2-4-20(18)17-23/h7-8,17,19,21-22H,1-6,9-16H2
InChIKeyIJQOJEVYUFNGIM-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.14
Rot. Bonds5

About N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide

N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 91906221) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID91906221
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H34N2O4S/c27-24(19-5-6-19)26(22-11-15-30-16-12-22)21-9-13-25(14-10-21)31(28,29)23-8-7-18-3-1-2-4-20(18)17-23/h7-8,17,19,21-22H,1-6,9-16H2
InChIKeyIJQOJEVYUFNGIM-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24819944
CID 24819944
CID 2989238
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CID 25497141
CID 25497141
CID 91906125
CID 91906125
CID 91906107
CID 91906107
CID 91906109
CID 91906109
CID 91906120
CID 91906120
CID 91906128
CID 91906128
CID 91906135
CID 91906135
CID 91906136
CID 91906136
CID 91906137
CID 91906137
CID 91906138
CID 91906138

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 91906221) is N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(C1CC1)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is IJQOJEVYUFNGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c27-24(19-5-6-19)26(22-11-15-30-16-12-22)21-9-13-25(14-10-21)31(28,29)23-8-7-18-3-1-2-4-20(18)17-23/h7-8,17,19,21-22H,1-6,9-16H2.
What are the key properties of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 446.61 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91906221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).