N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide

C19H29N3O3S — CID 71961660

IUPACN-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-19(2,3)21-18(23)22-12-9-17(10-13-22)15-20-26(24,25)14-11-16-7-5-4-6-8-16/h4-8,11,14,17,20H,9-10,12-13,15H2,1-3H3,(H,21,23)
InChIKeyLNQKRGQCZXXKEQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.80
Rot. Bonds5

About N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide

N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide (PubChem CID 71961660) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide
PubChem CID71961660
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-19(2,3)21-18(23)22-12-9-17(10-13-22)15-20-26(24,25)14-11-16-7-5-4-6-8-16/h4-8,11,14,17,20H,9-10,12-13,15H2,1-3H3,(H,21,23)
InChIKeyLNQKRGQCZXXKEQ-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide (CID 71961660) is N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide?
The InChIKey is LNQKRGQCZXXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-19(2,3)21-18(23)22-12-9-17(10-13-22)15-20-26(24,25)14-11-16-7-5-4-6-8-16/h4-8,11,14,17,20H,9-10,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2-phenylethenylsulfonylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71961660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).