methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide

C12H30N2O3S — CID 161075660

IUPACmethane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide
SMILESC.C.CCS(=O)(=O)NCCCC[C@H](NC)C(C)=O
InChIInChI=1S/C10H22N2O3S.2CH4/c1-4-16(14,15)12-8-6-5-7-10(11-3)9(2)13;;/h10-12H,4-8H2,1-3H3;2*1H4/t10-;;/m0../s1
InChIKeyUFFTZPRNGXJYOA-XRIOVQLTSA-N
MW282.45 g/mol
LogP1.55
Rot. Bonds9

About methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide

methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide (PubChem CID 161075660) has the molecular formula C12H30N2O3S and a molecular weight of 282.45 g/mol. Its IUPAC name is methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide.

Molecular Properties

Compound Namemethane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide
PubChem CID161075660
Molecular FormulaC12H30N2O3S
Molecular Weight282.45 g/mol
Exact Mass282.20
IUPAC Namemethane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide
SMILESC.C.CCS(=O)(=O)NCCCC[C@H](NC)C(C)=O
InChIInChI=1S/C10H22N2O3S.2CH4/c1-4-16(14,15)12-8-6-5-7-10(11-3)9(2)13;;/h10-12H,4-8H2,1-3H3;2*1H4/t10-;;/m0../s1
InChIKeyUFFTZPRNGXJYOA-XRIOVQLTSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide?
The IUPAC name of methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide (CID 161075660) is methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide.
What is the SMILES notation for methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide?
The canonical SMILES for methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide is C.C.CCS(=O)(=O)NCCCC[C@H](NC)C(C)=O.
What is the InChIKey of methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide?
The InChIKey is UFFTZPRNGXJYOA-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H22N2O3S.2CH4/c1-4-16(14,15)12-8-6-5-7-10(11-3)9(2)13;;/h10-12H,4-8H2,1-3H3;2*1H4/t10-;;/m0../s1.
What are the key properties of methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide?
methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide has a molecular weight of 282.45 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide is sourced from PubChem (CID 161075660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).