N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide

C13H22N4O4S — CID 135096220

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O4S/c1-4-17-6-10(5-14-17)13(18)15-12-8-21-7-11(12)9-22(19,20)16(2)3/h5-6,11-12H,4,7-9H2,1-3H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyKRNSGVVJCLSBDS-NWDGAFQWSA-N
MW330.41 g/mol
LogP-0.46
Rot. Bonds6

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide (PubChem CID 135096220) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
PubChem CID135096220
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O4S/c1-4-17-6-10(5-14-17)13(18)15-12-8-21-7-11(12)9-22(19,20)16(2)3/h5-6,11-12H,4,7-9H2,1-3H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyKRNSGVVJCLSBDS-NWDGAFQWSA-N
XLogP-0.46
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 155917124
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135108216
6-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 135117318
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 156583849
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
CID 134707923
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115806
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115737
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
CID 135094246
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide (CID 135096220) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is KRNSGVVJCLSBDS-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-4-17-6-10(5-14-17)13(18)15-12-8-21-7-11(12)9-22(19,20)16(2)3/h5-6,11-12H,4,7-9H2,1-3H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 135096220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).