5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide

C9H19N5O2S — CID 54963921

IUPAC5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-7(4-5-14(2)3)13-17(15,16)8-6-11-12-9(8)10/h6-7,13H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyITTFOOKFKDPOTG-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.39
Rot. Bonds6

About 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide

5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 54963921) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
PubChem CID54963921
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-7(4-5-14(2)3)13-17(15,16)8-6-11-12-9(8)10/h6-7,13H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyITTFOOKFKDPOTG-UHFFFAOYSA-N
XLogP-0.39
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61108156
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61463527
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-nitrobenzenesulfonamide
CID 62152733
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
CID 106054898
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
3-(aminomethyl)-2,4-dichloro-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 106054870

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide (CID 54963921) is 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ITTFOOKFKDPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-7(4-5-14(2)3)13-17(15,16)8-6-11-12-9(8)10/h6-7,13H,4-5H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).