N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C10H20N4O2S — CID 114135422

IUPACN-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H20N4O2S/c1-8(2)11-7-9(3)17(15,16)13-10-5-6-14(4)12-10/h5-6,8-9,11H,7H2,1-4H3,(H,12,13)
InChIKeyZGFZVFGOSQBPKI-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.55
Rot. Bonds6

About N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 114135422) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID114135422
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H20N4O2S/c1-8(2)11-7-9(3)17(15,16)13-10-5-6-14(4)12-10/h5-6,8-9,11H,7H2,1-4H3,(H,12,13)
InChIKeyZGFZVFGOSQBPKI-UHFFFAOYSA-N
XLogP0.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
CID 114135430
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60807993
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106089584

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 114135422) is N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is ZGFZVFGOSQBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-8(2)11-7-9(3)17(15,16)13-10-5-6-14(4)12-10/h5-6,8-9,11H,7H2,1-4H3,(H,12,13).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 114135422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).