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

C19H30ClN5O3S — CID 58035285

IUPACN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1
InChIInChI=1S/C19H30ClN5O3S/c1-4-29(27,28)23(3)15-5-9-24(10-6-15)16-7-11-25(12-8-16)19(26)17-14(2)18(20)22-13-21-17/h13,15-16H,4-12H2,1-3H3
InChIKeyAUSVKNPJDPZITA-UHFFFAOYSA-N
MW444.00 g/mol
LogP1.79
Rot. Bonds5

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

N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide (PubChem CID 58035285) has the molecular formula C19H30ClN5O3S and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide
PubChem CID58035285
Molecular FormulaC19H30ClN5O3S
Molecular Weight444.00 g/mol
Exact Mass443.18
IUPAC NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1
InChIInChI=1S/C19H30ClN5O3S/c1-4-29(27,28)23(3)15-5-9-24(10-6-15)16-7-11-25(12-8-16)19(26)17-14(2)18(20)22-13-21-17/h13,15-16H,4-12H2,1-3H3
InChIKeyAUSVKNPJDPZITA-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 51.79
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-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide (CID 58035285) is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(Cl)c3C)CC2)CC1.
What is the InChIKey of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide?
The InChIKey is AUSVKNPJDPZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O3S/c1-4-29(27,28)23(3)15-5-9-24(10-6-15)16-7-11-25(12-8-16)19(26)17-14(2)18(20)22-13-21-17/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide?
N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide has a molecular weight of 444.00 g/mol, XLogP of 1.79, 5 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-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 58035285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).