N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide

C13H23N3O4S2 — CID 131930888

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCc1n[nH]c(C)c1CCCN(C)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23N3O4S2/c1-10-13(11(2)15-14-10)5-4-7-16(3)22(19,20)12-6-8-21(17,18)9-12/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyNFRCJMOHHOMFFJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.41
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 131930888) has the molecular formula C13H23N3O4S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID131930888
Molecular FormulaC13H23N3O4S2
Molecular Weight349.48 g/mol
Exact Mass349.11
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCc1n[nH]c(C)c1CCCN(C)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23N3O4S2/c1-10-13(11(2)15-14-10)5-4-7-16(3)22(19,20)12-6-8-21(17,18)9-12/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyNFRCJMOHHOMFFJ-UHFFFAOYSA-N
XLogP0.41
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 131930888) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide is Cc1n[nH]c(C)c1CCCN(C)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is NFRCJMOHHOMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S2/c1-10-13(11(2)15-14-10)5-4-7-16(3)22(19,20)12-6-8-21(17,18)9-12/h12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 349.48 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 131930888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).