N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide

C14H25N5O3S — CID 154742605

IUPACN-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1nc(C)n(C2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H25N5O3S/c1-10-15-11(2)19(16-10)12-7-6-8-18(9-12)13(20)14(3,4)17-23(5,21)22/h12,17H,6-9H2,1-5H3
InChIKeyQGQYXHGKIKWCKQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.39
Rot. Bonds4

About N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide

N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 154742605) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide
PubChem CID154742605
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1nc(C)n(C2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H25N5O3S/c1-10-15-11(2)19(16-10)12-7-6-8-18(9-12)13(20)14(3,4)17-23(5,21)22/h12,17H,6-9H2,1-5H3
InChIKeyQGQYXHGKIKWCKQ-UHFFFAOYSA-N
XLogP0.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95736974
[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
CID 95750487
(2R)-2-cyclopentyloxy-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95768828
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95736860
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95737051
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95737115
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234
3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide
CID 95777623
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95737135

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide (CID 154742605) is N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide is Cc1nc(C)n(C2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is QGQYXHGKIKWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-10-15-11(2)19(16-10)12-7-6-8-18(9-12)13(20)14(3,4)17-23(5,21)22/h12,17H,6-9H2,1-5H3.
What are the key properties of N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide?
N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 154742605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).