(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide

C13H24N4O3S — CID 95350278

IUPAC(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O3S/c1-8(2)17-11(5)12(9(3)14-17)21(19,20)15-10(4)13(18)16(6)7/h8,10,15H,1-7H3/t10-/m0/s1
InChIKeyCHVBMTCXRRJHQC-JTQLQIEISA-N
MW316.43 g/mol
LogP0.84
Rot. Bonds5

About (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide

(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 95350278) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID95350278
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O3S/c1-8(2)17-11(5)12(9(3)14-17)21(19,20)15-10(4)13(18)16(6)7/h8,10,15H,1-7H3/t10-/m0/s1
InChIKeyCHVBMTCXRRJHQC-JTQLQIEISA-N
XLogP0.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide (CID 95350278) is (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is CHVBMTCXRRJHQC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-8(2)17-11(5)12(9(3)14-17)21(19,20)15-10(4)13(18)16(6)7/h8,10,15H,1-7H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95350278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).