N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide

C7H16N4O3S — CID 121481121

IUPACN-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCC(C)OC(CN=[N+]=[N-])CNS(C)(=O)=O
InChIInChI=1S/C7H16N4O3S/c1-6(2)14-7(4-9-11-8)5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyCVODAQXVXUTSAY-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.64
Rot. Bonds7

About N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide

N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide (PubChem CID 121481121) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
PubChem CID121481121
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC NameN-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCC(C)OC(CN=[N+]=[N-])CNS(C)(=O)=O
InChIInChI=1S/C7H16N4O3S/c1-6(2)14-7(4-9-11-8)5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyCVODAQXVXUTSAY-UHFFFAOYSA-N
XLogP0.64
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.64
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-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
CID 118241711
N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991650
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
CID 121481056
propan-2-yl 6-azido-5-methoxy-3-oxohexanoate
CID 11459174
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
CID 118241736
azidoethane;methanesulfonic acid
CID 123670862
N-(2-bromopropyl)methanesulfonamide
CID 114295652
(2R)-3-azido-2-[di(propan-2-yloxy)phosphorylmethylperoxy]propan-1-ol
CID 22880057
N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
CID 118241784
N-(2-azidoethylsulfamoyl)propan-2-amine
CID 114812616
1-azido-2-chloropropane
CID 141342306

Frequently Asked Questions

What is the IUPAC name of N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide?
The IUPAC name of N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide (CID 121481121) is N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide.
What is the SMILES notation for N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide?
The canonical SMILES for N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide is CC(C)OC(CN=[N+]=[N-])CNS(C)(=O)=O.
What is the InChIKey of N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide?
The InChIKey is CVODAQXVXUTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-6(2)14-7(4-9-11-8)5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide?
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 121481121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).