4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide

C13H21N5O3S — CID 20629044

IUPAC4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C13H21N5O3S/c1-10(2)22(20,21)17-11-4-8-18(9-5-11)13(19)16-12-14-6-3-7-15-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15,16,19)
InChIKeyNVRLBQNHBAGCDU-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.80
Rot. Bonds4

About 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide

4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide (PubChem CID 20629044) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
PubChem CID20629044
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C13H21N5O3S/c1-10(2)22(20,21)17-11-4-8-18(9-5-11)13(19)16-12-14-6-3-7-15-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15,16,19)
InChIKeyNVRLBQNHBAGCDU-UHFFFAOYSA-N
XLogP0.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide (CID 20629044) is 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The InChIKey is NVRLBQNHBAGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-10(2)22(20,21)17-11-4-8-18(9-5-11)13(19)16-12-14-6-3-7-15-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3,(H,14,15,16,19).
What are the key properties of 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide?
4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 20629044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).