N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide

C7H14N4O2S — CID 58201083

IUPACN-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCC[C@H]1N=[N+]=[N-])S(C)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-11(14(2,12)13)7-5-3-4-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRVQVPIIGFFBUMM-RNFRBKRXSA-N
MW218.28 g/mol
LogP1.11
Rot. Bonds3

About N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide

N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide (PubChem CID 58201083) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide
PubChem CID58201083
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCC[C@H]1N=[N+]=[N-])S(C)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-11(14(2,12)13)7-5-3-4-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRVQVPIIGFFBUMM-RNFRBKRXSA-N
XLogP1.11
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide (CID 58201083) is N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide is CN([C@@H]1CCC[C@H]1N=[N+]=[N-])S(C)(=O)=O.
What is the InChIKey of N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide?
The InChIKey is RVQVPIIGFFBUMM-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-11(14(2,12)13)7-5-3-4-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide?
N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-azidocyclopentyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58201083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).