N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C17H26ClN5O3S — CID 58035311

IUPACN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H26ClN5O3S/c1-12-15(19-11-20-16(12)18)17(24)23-9-5-14(6-10-23)22-7-3-13(4-8-22)21-27(2,25)26/h11,13-14,21H,3-10H2,1-2H3
InChIKeyDMBATVRJMXSAHC-UHFFFAOYSA-N
MW415.95 g/mol
LogP1.06
Rot. Bonds4

About N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 58035311) has the molecular formula C17H26ClN5O3S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID58035311
Molecular FormulaC17H26ClN5O3S
Molecular Weight415.95 g/mol
Exact Mass415.14
IUPAC NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H26ClN5O3S/c1-12-15(19-11-20-16(12)18)17(24)23-9-5-14(6-10-23)22-7-3-13(4-8-22)21-27(2,25)26/h11,13-14,21H,3-10H2,1-2H3
InChIKeyDMBATVRJMXSAHC-UHFFFAOYSA-N
XLogP1.06
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 58035311) is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide is Cc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DMBATVRJMXSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O3S/c1-12-15(19-11-20-16(12)18)17(24)23-9-5-14(6-10-23)22-7-3-13(4-8-22)21-27(2,25)26/h11,13-14,21H,3-10H2,1-2H3.
What are the key properties of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 415.95 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 58035311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).