N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide

C13H21N3O2S — CID 164642446

IUPACN-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)N[C@H](C1CCC1)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-9-8-14-16(2)13(9)19(17,18)15-12(11-6-7-11)10-4-3-5-10/h8,10-12,15H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyZLVNTSVZUBUUSQ-GFCCVEGCSA-N
MW283.40 g/mol
LogP1.59
Rot. Bonds5

About N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide

N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 164642446) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID164642446
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)N[C@H](C1CCC1)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-9-8-14-16(2)13(9)19(17,18)15-12(11-6-7-11)10-4-3-5-10/h8,10-12,15H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyZLVNTSVZUBUUSQ-GFCCVEGCSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide (CID 164642446) is N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)N[C@H](C1CCC1)C1CC1.
What is the InChIKey of N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is ZLVNTSVZUBUUSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-8-14-16(2)13(9)19(17,18)15-12(11-6-7-11)10-4-3-5-10/h8,10-12,15H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide?
N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 164642446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).