N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide

C14H26N4O2S — CID 91834354

IUPACN,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide
SMILESCC(C)c1n[nH]c2c1CN(CCCS(=O)(=O)N(C)C)CC2
InChIInChI=1S/C14H26N4O2S/c1-11(2)14-12-10-18(8-6-13(12)15-16-14)7-5-9-21(19,20)17(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyVVGUMSIMNMMUJZ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.17
Rot. Bonds6

About N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide

N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide (PubChem CID 91834354) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide
PubChem CID91834354
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide
SMILESCC(C)c1n[nH]c2c1CN(CCCS(=O)(=O)N(C)C)CC2
InChIInChI=1S/C14H26N4O2S/c1-11(2)14-12-10-18(8-6-13(12)15-16-14)7-5-9-21(19,20)17(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyVVGUMSIMNMMUJZ-UHFFFAOYSA-N
XLogP1.17
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide (CID 91834354) is N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide is CC(C)c1n[nH]c2c1CN(CCCS(=O)(=O)N(C)C)CC2.
What is the InChIKey of N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide?
The InChIKey is VVGUMSIMNMMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-11(2)14-12-10-18(8-6-13(12)15-16-14)7-5-9-21(19,20)17(3)4/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide?
N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 91834354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).