N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C18H28N4O5S — CID 39659181

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O5S/c1-20-12-15(17(24)21(2)18(20)25)28(26,27)19-14-8-10-22(11-9-14)16(23)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3
InChIKeyCDVJRDQDHMCNRA-UHFFFAOYSA-N
MW412.51 g/mol
LogP-0.07
Rot. Bonds4

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 39659181) has the molecular formula C18H28N4O5S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID39659181
Molecular FormulaC18H28N4O5S
Molecular Weight412.51 g/mol
Exact Mass412.18
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O5S/c1-20-12-15(17(24)21(2)18(20)25)28(26,27)19-14-8-10-22(11-9-14)16(23)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3
InChIKeyCDVJRDQDHMCNRA-UHFFFAOYSA-N
XLogP-0.07
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 39659181) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is CDVJRDQDHMCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S/c1-20-12-15(17(24)21(2)18(20)25)28(26,27)19-14-8-10-22(11-9-14)16(23)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 412.51 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 39659181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).