N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

C9H17N3O2S — CID 63194324

IUPACN-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(C)(C)CN)c1
InChIInChI=1S/C9H17N3O2S/c1-9(2,7-10)11-15(13,14)8-4-5-12(3)6-8/h4-6,11H,7,10H2,1-3H3
InChIKeyBGTLUURFZKYYIB-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.04
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 63194324) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID63194324
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(C)(C)CN)c1
InChIInChI=1S/C9H17N3O2S/c1-9(2,7-10)11-15(13,14)8-4-5-12(3)6-8/h4-6,11H,7,10H2,1-3H3
InChIKeyBGTLUURFZKYYIB-UHFFFAOYSA-N
XLogP0.04
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
3-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 64671378
1-methylpyrrole-3-sulfonohydrazide
CID 82280503
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119975623
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (CID 63194324) is N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NC(C)(C)CN)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is BGTLUURFZKYYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2,7-10)11-15(13,14)8-4-5-12(3)6-8/h4-6,11H,7,10H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 63194324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).