N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine

C9H16N4O3S2 — CID 104978674

IUPACN-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1csc(NS(=O)(=O)NCC(C)C)n1
InChIInChI=1S/C9H16N4O3S2/c1-6(2)4-10-18(15,16)13-9-11-8(5-17-9)7(3)12-14/h5-6,10,14H,4H2,1-3H3,(H,11,13)
InChIKeyYPCPJOPGUBKUMY-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.24
Rot. Bonds6

About N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine

N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine (PubChem CID 104978674) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
PubChem CID104978674
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC NameN-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1csc(NS(=O)(=O)NCC(C)C)n1
InChIInChI=1S/C9H16N4O3S2/c1-6(2)4-10-18(15,16)13-9-11-8(5-17-9)7(3)12-14/h5-6,10,14H,4H2,1-3H3,(H,11,13)
InChIKeyYPCPJOPGUBKUMY-UHFFFAOYSA-N
XLogP1.24
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-2-methoxyethanesulfonamide
CID 64555946
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 77046918
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzenesulfonamide
CID 77046980
5-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 77047038
2-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 77046639
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 77046674
4-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106314716
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115184
3,5-dichloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77047033
1-butyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]urea
CID 77046976

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine (CID 104978674) is N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine is CC(=NO)c1csc(NS(=O)(=O)NCC(C)C)n1.
What is the InChIKey of N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine?
The InChIKey is YPCPJOPGUBKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-6(2)4-10-18(15,16)13-9-11-8(5-17-9)7(3)12-14/h5-6,10,14H,4H2,1-3H3,(H,11,13).
What are the key properties of N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine?
N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine has a molecular weight of 292.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 104978674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).