(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide

C14H30N4O2SSi — CID 10712632

IUPAC(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide
SMILESCC(C)SC(N=[N+]=[N-])[C@H](C(N)=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30N4O2SSi/c1-9(2)21-13(17-18-16)11(12(15)19)10(3)20-22(7,8)14(4,5)6/h9-11,13H,1-8H3,(H2,15,19)/t10-,11+,13?/m1/s1
InChIKeyNCOIAWADJWSWDM-ILWADHIDSA-N
MW346.57 g/mol
LogP4.28
Rot. Bonds8

About (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide

(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide (PubChem CID 10712632) has the molecular formula C14H30N4O2SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide
PubChem CID10712632
Molecular FormulaC14H30N4O2SSi
Molecular Weight346.57 g/mol
Exact Mass346.19
IUPAC Name(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide
SMILESCC(C)SC(N=[N+]=[N-])[C@H](C(N)=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30N4O2SSi/c1-9(2)21-13(17-18-16)11(12(15)19)10(3)20-22(7,8)14(4,5)6/h9-11,13H,1-8H3,(H2,15,19)/t10-,11+,13?/m1/s1
InChIKeyNCOIAWADJWSWDM-ILWADHIDSA-N
XLogP4.28
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 54.28
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl 2-azido-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
CID 132540381
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
(3R,5R)-3-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-chlorohexanoic acid
CID 102076473
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
S-ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanethioate
CID 10850104
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2S)-2-azido-3,3-dimethylbutanamide
CID 151787288
[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91804971
3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 57177157
[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102279926

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide?
The IUPAC name of (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide (CID 10712632) is (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide.
What is the SMILES notation for (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide?
The canonical SMILES for (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide is CC(C)SC(N=[N+]=[N-])[C@H](C(N)=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide?
The InChIKey is NCOIAWADJWSWDM-ILWADHIDSA-N. The full InChI is InChI=1S/C14H30N4O2SSi/c1-9(2)21-13(17-18-16)11(12(15)19)10(3)20-22(7,8)14(4,5)6/h9-11,13H,1-8H3,(H2,15,19)/t10-,11+,13?/m1/s1.
What are the key properties of (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide?
(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide has a molecular weight of 346.57 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide is sourced from PubChem (CID 10712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).