N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide

C11H17N3O4S2 — CID 79395251

IUPACN-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O4S2/c1-7-10(19-11(16)13-7)20(17,18)12-6-2-3-9(15)14-8-4-5-8/h8,12H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPQXYIRCNXISBHX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.08
Rot. Bonds7

About N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide

N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide (PubChem CID 79395251) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
PubChem CID79395251
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O4S2/c1-7-10(19-11(16)13-7)20(17,18)12-6-2-3-9(15)14-8-4-5-8/h8,12H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPQXYIRCNXISBHX-UHFFFAOYSA-N
XLogP0.08
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
N-cyclopropyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60724764
N-cyclopropyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723887
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
4-methyl-2-oxo-N-pent-4-ynyl-3H-1,3-thiazole-5-sulfonamide
CID 106222743
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
N-hex-5-ynyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106213763
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984797
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61013272

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide (CID 79395251) is N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide?
The InChIKey is PQXYIRCNXISBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-7-10(19-11(16)13-7)20(17,18)12-6-2-3-9(15)14-8-4-5-8/h8,12H,2-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide?
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide has a molecular weight of 319.41 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide is sourced from PubChem (CID 79395251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).