2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine

C14H25N5O3S — CID 136560585

IUPAC2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine
SMILESCCN(CC)S(=O)(=O)NC1CCCN(c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)17-12-7-6-8-18(10-12)14-15-11(3)9-13(20)16-14/h9,12,17H,4-8,10H2,1-3H3,(H,15,16,20)
InChIKeyXODDALJDTCVZKC-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.22
Rot. Bonds6

About 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine

2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine (PubChem CID 136560585) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine.

Molecular Properties

Compound Name2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine
PubChem CID136560585
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine
SMILESCCN(CC)S(=O)(=O)NC1CCCN(c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)17-12-7-6-8-18(10-12)14-15-11(3)9-13(20)16-14/h9,12,17H,4-8,10H2,1-3H3,(H,15,16,20)
InChIKeyXODDALJDTCVZKC-UHFFFAOYSA-N
XLogP0.22
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine?
The IUPAC name of 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine (CID 136560585) is 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine.
What is the SMILES notation for 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine?
The canonical SMILES for 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine is CCN(CC)S(=O)(=O)NC1CCCN(c2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine?
The InChIKey is XODDALJDTCVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)17-12-7-6-8-18(10-12)14-15-11(3)9-13(20)16-14/h9,12,17H,4-8,10H2,1-3H3,(H,15,16,20).
What are the key properties of 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine?
2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine has a molecular weight of 343.45 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoylamino)piperidin-1-yl]-4-methyl-6-oxo-1H-pyrimidine is sourced from PubChem (CID 136560585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).