2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide

C9H17N5O3S — CID 63980014

IUPAC2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H17N5O3S/c1-6(2)13-7(15)4-12-18(16,17)9-8(10)11-5-14(9)3/h5-6,12H,4,10H2,1-3H3,(H,13,15)
InChIKeyIIFNVHFMFAGPPQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.19
Rot. Bonds5

About 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 63980014) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID63980014
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H17N5O3S/c1-6(2)13-7(15)4-12-18(16,17)9-8(10)11-5-14(9)3/h5-6,12H,4,10H2,1-3H3,(H,13,15)
InChIKeyIIFNVHFMFAGPPQ-UHFFFAOYSA-N
XLogP-1.19
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
CID 114615039
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
CID 83202968
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 63978515
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428
2-[(3-amino-2-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103304775
N-propan-2-yl-2-(sulfamoylamino)acetamide
CID 112684221
5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide
CID 113487202

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 63980014) is 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is IIFNVHFMFAGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-6(2)13-7(15)4-12-18(16,17)9-8(10)11-5-14(9)3/h5-6,12H,4,10H2,1-3H3,(H,13,15).
What are the key properties of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 275.33 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63980014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).