N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide

C7H15NOS2 — CID 107030299

IUPACN-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
SMILESCSCCCNC(=O)C(C)S
InChIInChI=1S/C7H15NOS2/c1-6(10)7(9)8-4-3-5-11-2/h6,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyIPCJTGUHZCMIFJ-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.17
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide

N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide (PubChem CID 107030299) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
PubChem CID107030299
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameN-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
SMILESCSCCCNC(=O)C(C)S
InChIInChI=1S/C7H15NOS2/c1-6(10)7(9)8-4-3-5-11-2/h6,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyIPCJTGUHZCMIFJ-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methylsulfanylpropyl)propanamide
CID 63965545
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
1-tert-butyl-3-(3-methylsulfanylpropyl)urea
CID 115693455
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
1-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methylsulfanylpropyl)urea
CID 111435214
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
CID 114125400
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
CID 106433479
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide (CID 107030299) is N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide is CSCCCNC(=O)C(C)S.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide?
The InChIKey is IPCJTGUHZCMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-6(10)7(9)8-4-3-5-11-2/h6,10H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide?
N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide has a molecular weight of 193.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).