N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

C10H16N4O3S — CID 164637064

IUPACN-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)cn1
InChIInChI=1S/C10H16N4O3S/c1-10(2)6-11-9(15)8(10)13-18(16,17)7-4-12-14(3)5-7/h4-5,8,13H,6H2,1-3H3,(H,11,15)/t8-/m1/s1
InChIKeyHYOJGYZDRYVWBG-MRVPVSSYSA-N
MW272.33 g/mol
LogP-0.78
Rot. Bonds3

About N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 164637064) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID164637064
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)cn1
InChIInChI=1S/C10H16N4O3S/c1-10(2)6-11-9(15)8(10)13-18(16,17)7-4-12-14(3)5-7/h4-5,8,13H,6H2,1-3H3,(H,11,15)/t8-/m1/s1
InChIKeyHYOJGYZDRYVWBG-MRVPVSSYSA-N
XLogP-0.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (CID 164637064) is N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)cn1.
What is the InChIKey of N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is HYOJGYZDRYVWBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-10(2)6-11-9(15)8(10)13-18(16,17)7-4-12-14(3)5-7/h4-5,8,13H,6H2,1-3H3,(H,11,15)/t8-/m1/s1.
What are the key properties of N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 164637064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).