4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide

C14H23N5O3S — CID 20631029

IUPAC4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C14H23N5O3S/c1-14(2,3)23(21,22)18-11-5-9-19(10-6-11)13(20)17-12-15-7-4-8-16-12/h4,7-8,11,18H,5-6,9-10H2,1-3H3,(H,15,16,17,20)
InChIKeyXNUBOVMSCSHIPT-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.19
Rot. Bonds3

About 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide (PubChem CID 20631029) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
PubChem CID20631029
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C14H23N5O3S/c1-14(2,3)23(21,22)18-11-5-9-19(10-6-11)13(20)17-12-15-7-4-8-16-12/h4,7-8,11,18H,5-6,9-10H2,1-3H3,(H,15,16,17,20)
InChIKeyXNUBOVMSCSHIPT-UHFFFAOYSA-N
XLogP1.19
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide (CID 20631029) is 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The InChIKey is XNUBOVMSCSHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-14(2,3)23(21,22)18-11-5-9-19(10-6-11)13(20)17-12-15-7-4-8-16-12/h4,7-8,11,18H,5-6,9-10H2,1-3H3,(H,15,16,17,20).
What are the key properties of 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 20631029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).