(2S)-2-azido-3-ethyl-1-sulfanyloxypentane

C7H15N3OS — CID 89309661

IUPAC(2S)-2-azido-3-ethyl-1-sulfanyloxypentane
SMILESCCC(CC)[C@@H](COS)N=[N+]=[N-]
InChIInChI=1S/C7H15N3OS/c1-3-6(4-2)7(5-11-12)9-10-8/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyTVMRJGMFCDDLKZ-SSDOTTSWSA-N
MW189.28 g/mol
LogP2.96
Rot. Bonds6

About (2S)-2-azido-3-ethyl-1-sulfanyloxypentane

(2S)-2-azido-3-ethyl-1-sulfanyloxypentane (PubChem CID 89309661) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is (2S)-2-azido-3-ethyl-1-sulfanyloxypentane.

Molecular Properties

Compound Name(2S)-2-azido-3-ethyl-1-sulfanyloxypentane
PubChem CID89309661
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name(2S)-2-azido-3-ethyl-1-sulfanyloxypentane
SMILESCCC(CC)[C@@H](COS)N=[N+]=[N-]
InChIInChI=1S/C7H15N3OS/c1-3-6(4-2)7(5-11-12)9-10-8/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyTVMRJGMFCDDLKZ-SSDOTTSWSA-N
XLogP2.96
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Azido-3-methylpentan-1-ol
CID 57579792
(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2S)-2-azido-3-methylpentan-1-ol
CID 101167051
2-Azido-3-ethylpentan-1-ol
CID 152756616

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-3-ethyl-1-sulfanyloxypentane?
The IUPAC name of (2S)-2-azido-3-ethyl-1-sulfanyloxypentane (CID 89309661) is (2S)-2-azido-3-ethyl-1-sulfanyloxypentane.
What is the SMILES notation for (2S)-2-azido-3-ethyl-1-sulfanyloxypentane?
The canonical SMILES for (2S)-2-azido-3-ethyl-1-sulfanyloxypentane is CCC(CC)[C@@H](COS)N=[N+]=[N-].
What is the InChIKey of (2S)-2-azido-3-ethyl-1-sulfanyloxypentane?
The InChIKey is TVMRJGMFCDDLKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-3-6(4-2)7(5-11-12)9-10-8/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-2-azido-3-ethyl-1-sulfanyloxypentane?
(2S)-2-azido-3-ethyl-1-sulfanyloxypentane has a molecular weight of 189.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3-ethyl-1-sulfanyloxypentane is sourced from PubChem (CID 89309661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).