3-(2-amino-2-methylpropyl)sulfanylpropanamide

C7H16N2OS — CID 66229715

IUPAC3-(2-amino-2-methylpropyl)sulfanylpropanamide
SMILESCC(C)(N)CSCCC(N)=O
InChIInChI=1S/C7H16N2OS/c1-7(2,9)5-11-4-3-6(8)10/h3-5,9H2,1-2H3,(H2,8,10)
InChIKeyMDMQFNZNJJRUOC-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.33
Rot. Bonds5

About 3-(2-amino-2-methylpropyl)sulfanylpropanamide

3-(2-amino-2-methylpropyl)sulfanylpropanamide (PubChem CID 66229715) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfanylpropanamide
PubChem CID66229715
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-(2-amino-2-methylpropyl)sulfanylpropanamide
SMILESCC(C)(N)CSCCC(N)=O
InChIInChI=1S/C7H16N2OS/c1-7(2,9)5-11-4-3-6(8)10/h3-5,9H2,1-2H3,(H2,8,10)
InChIKeyMDMQFNZNJJRUOC-UHFFFAOYSA-N
XLogP0.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-amino-2-methylpropyl)sulfanylpropanoate
CID 66228269
4-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66228735
3-tert-butylsulfanylpropanamide
CID 21060365
1-(2-fluoroethylsulfanyl)-2-methylpropan-2-amine
CID 80696277
6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
CID 23615100
1-(2-amino-2-methylpropyl)sulfanyl-2-methylpropan-2-ol
CID 66229022
3-octadecylsulfanylpropanamide
CID 21260142
3-(acetamidomethylsulfanyl)propanamide
CID 57428043
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 66223813
2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
3-(2-carboxyethylsulfanyl)-2,2-dimethylpropanoic acid
CID 21388112
1-heptylsulfanyl-2-methylpropan-2-amine
CID 66228782

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)sulfanylpropanamide?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfanylpropanamide (CID 66229715) is 3-(2-amino-2-methylpropyl)sulfanylpropanamide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfanylpropanamide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfanylpropanamide is CC(C)(N)CSCCC(N)=O.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfanylpropanamide?
The InChIKey is MDMQFNZNJJRUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(2,9)5-11-4-3-6(8)10/h3-5,9H2,1-2H3,(H2,8,10).
What are the key properties of 3-(2-amino-2-methylpropyl)sulfanylpropanamide?
3-(2-amino-2-methylpropyl)sulfanylpropanamide has a molecular weight of 176.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfanylpropanamide is sourced from PubChem (CID 66229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).