N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

C10H17N3OS — CID 152780262

IUPACN-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)(C)C(Cn1ccnc1)=NO
InChIInChI=1S/C10H17N3OS/c1-10(2,7-15-3)9(12-14)6-13-5-4-11-8-13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyAANWXAKTUOFDAL-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.10
Rot. Bonds5

About N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 152780262) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID152780262
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)(C)C(Cn1ccnc1)=NO
InChIInChI=1S/C10H17N3OS/c1-10(2,7-15-3)9(12-14)6-13-5-4-11-8-13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyAANWXAKTUOFDAL-UHFFFAOYSA-N
XLogP2.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 20528220
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
(NE)-N-[3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-ylidene]hydroxylamine
CID 88747848
1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
CID 174695765

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 152780262) is N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is CSCC(C)(C)C(Cn1ccnc1)=NO.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is AANWXAKTUOFDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,7-15-3)9(12-14)6-13-5-4-11-8-13/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 227.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 152780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).