N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C19H30ClN5O3S — CID 58035328

IUPACN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H30ClN5O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3
InChIKeyNTZBLDJGFIFJOB-UHFFFAOYSA-N
MW444.00 g/mol
LogP1.71
Rot. Bonds4

About N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 58035328) has the molecular formula C19H30ClN5O3S and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID58035328
Molecular FormulaC19H30ClN5O3S
Molecular Weight444.00 g/mol
Exact Mass443.18
IUPAC NameN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H30ClN5O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3
InChIKeyNTZBLDJGFIFJOB-UHFFFAOYSA-N
XLogP1.71
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 58035328) is N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is NTZBLDJGFIFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3.
What are the key properties of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 444.00 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).