N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide

C10H20N4O2S — CID 102694110

IUPACN-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-9(4-2)14(8-6-11)17(15,16)10-5-7-12-13-10/h5,7,9H,3-4,6,8,11H2,1-2H3,(H,12,13)
InChIKeyPMBDFJLVFKVDLG-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.55
Rot. Bonds7

About N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide

N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide (PubChem CID 102694110) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
PubChem CID102694110
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-9(4-2)14(8-6-11)17(15,16)10-5-7-12-13-10/h5,7,9H,3-4,6,8,11H2,1-2H3,(H,12,13)
InChIKeyPMBDFJLVFKVDLG-UHFFFAOYSA-N
XLogP0.55
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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 ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102693931
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894
N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 63767372
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
N-(2-aminoethyl)-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 55243728
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
CID 102694126
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide (CID 102694110) is N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide is CCC(CC)N(CCN)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is PMBDFJLVFKVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-9(4-2)14(8-6-11)17(15,16)10-5-7-12-13-10/h5,7,9H,3-4,6,8,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).