N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide

C14H23N5O3S — CID 92632029

IUPACN-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCNc1ncc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cn1
InChIInChI=1S/C14H23N5O3S/c1-15-14-16-9-11(10-17-14)13(20)19-8-4-3-5-12(19)6-7-18-23(2,21)22/h9-10,12,18H,3-8H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyOAIPUQYRZHCKSM-GFCCVEGCSA-N
MW341.44 g/mol
LogP0.45
Rot. Bonds6

About N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 92632029) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID92632029
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCNc1ncc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cn1
InChIInChI=1S/C14H23N5O3S/c1-15-14-16-9-11(10-17-14)13(20)19-8-4-3-5-12(19)6-7-18-23(2,21)22/h9-10,12,18H,3-8H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyOAIPUQYRZHCKSM-GFCCVEGCSA-N
XLogP0.45
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 119727540
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 92632029) is N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide is CNc1ncc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cn1.
What is the InChIKey of N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is OAIPUQYRZHCKSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-15-14-16-9-11(10-17-14)13(20)19-8-4-3-5-12(19)6-7-18-23(2,21)22/h9-10,12,18H,3-8H2,1-2H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 92632029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).