N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine

C10H20N2O3S — CID 104930877

IUPACN-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine
SMILESCC1CN(S(=O)(=O)C(C)(C)C)CCC1=NO
InChIInChI=1S/C10H20N2O3S/c1-8-7-12(6-5-9(8)11-13)16(14,15)10(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyMCJJUERAYRLWEA-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.29
Rot. Bonds1

About N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine

N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine (PubChem CID 104930877) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine
PubChem CID104930877
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine
SMILESCC1CN(S(=O)(=O)C(C)(C)C)CCC1=NO
InChIInChI=1S/C10H20N2O3S/c1-8-7-12(6-5-9(8)11-13)16(14,15)10(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyMCJJUERAYRLWEA-UHFFFAOYSA-N
XLogP1.29
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine (CID 104930877) is N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine is CC1CN(S(=O)(=O)C(C)(C)C)CCC1=NO.
What is the InChIKey of N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is MCJJUERAYRLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-7-12(6-5-9(8)11-13)16(14,15)10(2,3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine?
N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 248.35 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 104930877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).