1-[azidosulfonyl(methyl)amino]-3-methylpentane

C7H16N4O2S — CID 87527906

IUPAC1-[azidosulfonyl(methyl)amino]-3-methylpentane
SMILESCCC(C)CCN(C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H16N4O2S/c1-4-7(2)5-6-11(3)14(12,13)10-9-8/h7H,4-6H2,1-3H3
InChIKeyPFMRAURJWYLIEB-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.91
Rot. Bonds6

About 1-[azidosulfonyl(methyl)amino]-3-methylpentane

1-[azidosulfonyl(methyl)amino]-3-methylpentane (PubChem CID 87527906) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-[azidosulfonyl(methyl)amino]-3-methylpentane.

Molecular Properties

Compound Name1-[azidosulfonyl(methyl)amino]-3-methylpentane
PubChem CID87527906
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC Name1-[azidosulfonyl(methyl)amino]-3-methylpentane
SMILESCCC(C)CCN(C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H16N4O2S/c1-4-7(2)5-6-11(3)14(12,13)10-9-8/h7H,4-6H2,1-3H3
InChIKeyPFMRAURJWYLIEB-UHFFFAOYSA-N
XLogP1.91
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-[azidosulfonyl(methyl)amino]-3-methylpentane?
The IUPAC name of 1-[azidosulfonyl(methyl)amino]-3-methylpentane (CID 87527906) is 1-[azidosulfonyl(methyl)amino]-3-methylpentane.
What is the SMILES notation for 1-[azidosulfonyl(methyl)amino]-3-methylpentane?
The canonical SMILES for 1-[azidosulfonyl(methyl)amino]-3-methylpentane is CCC(C)CCN(C)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 1-[azidosulfonyl(methyl)amino]-3-methylpentane?
The InChIKey is PFMRAURJWYLIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-4-7(2)5-6-11(3)14(12,13)10-9-8/h7H,4-6H2,1-3H3.
What are the key properties of 1-[azidosulfonyl(methyl)amino]-3-methylpentane?
1-[azidosulfonyl(methyl)amino]-3-methylpentane has a molecular weight of 220.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azidosulfonyl(methyl)amino]-3-methylpentane is sourced from PubChem (CID 87527906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).