3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C15H28N4O3S — CID 46990195

IUPAC3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)CCN(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C15H28N4O3S/c1-11(2)19(10-14-12(3)16-18(6)13(14)4)15(20)8-9-17(5)23(7,21)22/h11H,8-10H2,1-7H3
InChIKeyJWIVOFHWYOVFHM-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.06
Rot. Bonds7

About 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 46990195) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID46990195
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)CCN(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C15H28N4O3S/c1-11(2)19(10-14-12(3)16-18(6)13(14)4)15(20)8-9-17(5)23(7,21)22/h11H,8-10H2,1-7H3
InChIKeyJWIVOFHWYOVFHM-UHFFFAOYSA-N
XLogP1.06
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 56779611
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 91923217
N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71970260
N~2~-(methylsulfonyl)-N~1~-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]alaninamide
CID 91837686
1-[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 164637590
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 48673873
[5-Oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674757
[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675428
5-Oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713161
1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713832

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 46990195) is 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C(=O)CCN(C)S(C)(=O)=O)C(C)C.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is JWIVOFHWYOVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-11(2)19(10-14-12(3)16-18(6)13(14)4)15(20)8-9-17(5)23(7,21)22/h11H,8-10H2,1-7H3.
What are the key properties of 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 344.48 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 46990195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).