3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

C14H28N4O2S — CID 42283810

IUPAC3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCN(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C14H28N4O2S/c1-11(2)18-10-12(13(16-18)14(3,4)5)21(19,20)15-8-9-17(6)7/h10-11,15H,8-9H2,1-7H3
InChIKeyRHRVLEFBPDSNPB-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.60
Rot. Bonds6

About 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283810) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283810
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCN(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C14H28N4O2S/c1-11(2)18-10-12(13(16-18)14(3,4)5)21(19,20)15-8-9-17(6)7/h10-11,15H,8-9H2,1-7H3
InChIKeyRHRVLEFBPDSNPB-UHFFFAOYSA-N
XLogP1.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283812
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
3-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283804
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283933
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane
CID 42283730
3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283972
4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
CID 42283753
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 42283810) is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCCN(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is RHRVLEFBPDSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-11(2)18-10-12(13(16-18)14(3,4)5)21(19,20)15-8-9-17(6)7/h10-11,15H,8-9H2,1-7H3.
What are the key properties of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).