1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide

C13H22N4O3S — CID 139028911

IUPAC1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-16-10-12(9-14-16)21(18,19)15-11-13(3-2-4-13)17-5-7-20-8-6-17/h9-10,15H,2-8,11H2,1H3
InChIKeyLDKCWVAROPWUNH-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.05
Rot. Bonds5

About 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide (PubChem CID 139028911) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
PubChem CID139028911
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-16-10-12(9-14-16)21(18,19)15-11-13(3-2-4-13)17-5-7-20-8-6-17/h9-10,15H,2-8,11H2,1H3
InChIKeyLDKCWVAROPWUNH-UHFFFAOYSA-N
XLogP-0.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 139029418
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 86839334
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
CID 94025288
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
4-[[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]morpholine
CID 91629454
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 97075661
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide (CID 139028911) is 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cn1.
What is the InChIKey of 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is LDKCWVAROPWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-16-10-12(9-14-16)21(18,19)15-11-13(3-2-4-13)17-5-7-20-8-6-17/h9-10,15H,2-8,11H2,1H3.
What are the key properties of 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 139028911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).