N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide

C10H22N4O3S — CID 118241711

IUPACN-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C10H22N4O3S/c1-8(2)17-9(6-13-18(5,15)16)10(3,4)7-12-14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyRGCLMLKPQSNVRZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.67
Rot. Bonds8

About N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide

N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide (PubChem CID 118241711) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
PubChem CID118241711
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C10H22N4O3S/c1-8(2)17-9(6-13-18(5,15)16)10(3,4)7-12-14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyRGCLMLKPQSNVRZ-UHFFFAOYSA-N
XLogP1.67
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
CID 118241784
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481121
N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide
CID 88991711
4-azido-2,3,3-trimethylbutanal
CID 174381314
N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991650
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
N-(2-azidoethylsulfamoyl)propan-2-amine
CID 114812616
N-(2-bromopropyl)methanesulfonamide
CID 114295652
azidoethane;methanesulfonic acid
CID 123670862
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670
6-azido-3-hydroxy-4,4-dimethylhexane-2-sulfinic acid
CID 166006032
(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 102379954

Frequently Asked Questions

What is the IUPAC name of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?
The IUPAC name of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide (CID 118241711) is N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide.
What is the SMILES notation for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?
The canonical SMILES for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide is CC(C)OC(CNS(C)(=O)=O)C(C)(C)CN=[N+]=[N-].
What is the InChIKey of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?
The InChIKey is RGCLMLKPQSNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)17-9(6-13-18(5,15)16)10(3,4)7-12-14-11/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide?
N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide is sourced from PubChem (CID 118241711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).