2-(3-azidopropylamino)-4-methylsulfanylbutanamide

C8H17N5OS — CID 66165986

IUPAC2-(3-azidopropylamino)-4-methylsulfanylbutanamide
SMILESCSCCC(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C8H17N5OS/c1-15-6-3-7(8(9)14)11-4-2-5-12-13-10/h7,11H,2-6H2,1H3,(H2,9,14)
InChIKeyCQYJXDYXRXZLST-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.88
Rot. Bonds9

About 2-(3-azidopropylamino)-4-methylsulfanylbutanamide

2-(3-azidopropylamino)-4-methylsulfanylbutanamide (PubChem CID 66165986) has the molecular formula C8H17N5OS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-4-methylsulfanylbutanamide
PubChem CID66165986
Molecular FormulaC8H17N5OS
Molecular Weight231.32 g/mol
Exact Mass231.12
IUPAC Name2-(3-azidopropylamino)-4-methylsulfanylbutanamide
SMILESCSCCC(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C8H17N5OS/c1-15-6-3-7(8(9)14)11-4-2-5-12-13-10/h7,11H,2-6H2,1H3,(H2,9,14)
InChIKeyCQYJXDYXRXZLST-UHFFFAOYSA-N
XLogP0.88
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177233
ethyl 2-(3-azidopropylamino)-4-ethylsulfanylbutanoate
CID 116504431
[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
CID 70436273
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
2-(3-azidopropylamino)-3-hydroxypropanoic acid
CID 104711302
2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065
2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
CID 103089201
(2S)-2-(5-azidopentanoylamino)-6-(1-hydroxyethylamino)hexanamide
CID 139364815
(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
CID 87221819
2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide
CID 103277372
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(3-azidopropylamino)-4-methylsulfanylbutanamide (CID 66165986) is 2-(3-azidopropylamino)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(3-azidopropylamino)-4-methylsulfanylbutanamide is CSCCC(NCCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-(3-azidopropylamino)-4-methylsulfanylbutanamide?
The InChIKey is CQYJXDYXRXZLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5OS/c1-15-6-3-7(8(9)14)11-4-2-5-12-13-10/h7,11H,2-6H2,1H3,(H2,9,14).
What are the key properties of 2-(3-azidopropylamino)-4-methylsulfanylbutanamide?
2-(3-azidopropylamino)-4-methylsulfanylbutanamide has a molecular weight of 231.32 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-4-methylsulfanylbutanamide is sourced from PubChem (CID 66165986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).