4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide

C19H29N3O4S — CID 120920802

IUPAC4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C19H29N3O4S/c20-15-19(8-12-26-13-9-19)18(23)21-14-16-6-2-3-7-17(16)27(24,25)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-15,20H2,(H,21,23)
InChIKeyFYRKPQSMQWWTNN-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.23
Rot. Bonds6

About 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide (PubChem CID 120920802) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
PubChem CID120920802
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C19H29N3O4S/c20-15-19(8-12-26-13-9-19)18(23)21-14-16-6-2-3-7-17(16)27(24,25)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-15,20H2,(H,21,23)
InChIKeyFYRKPQSMQWWTNN-UHFFFAOYSA-N
XLogP1.23
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide (CID 120920802) is 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is FYRKPQSMQWWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c20-15-19(8-12-26-13-9-19)18(23)21-14-16-6-2-3-7-17(16)27(24,25)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-15,20H2,(H,21,23).
What are the key properties of 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120920802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).