N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide

C7H15NOS2 — CID 23104711

IUPACN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(C)(C)CS
InChIInChI=1S/C7H15NOS2/c1-5(11)6(9)8-7(2,3)4-10/h5,10-11H,4H2,1-3H3,(H,8,9)
InChIKeyBGLFVCNGQSNHFM-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.13
Rot. Bonds3

About N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide

N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide (PubChem CID 23104711) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
PubChem CID23104711
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(C)(C)CS
InChIInChI=1S/C7H15NOS2/c1-5(11)6(9)8-7(2,3)4-10/h5,10-11H,4H2,1-3H3,(H,8,9)
InChIKeyBGLFVCNGQSNHFM-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-sulfanylpropanamide
CID 14292941
3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide
CID 13321891
N-tert-butyl-2-sulfanylacetamide
CID 17979811
Bis-(N-tert-butyl-3-propanamide) disulfane
CID 21822484
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
CID 23104694
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104699
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide
CID 23104729
N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104736
2,2-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104747
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104768
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
CID 23104789
N-tert-butyl-2-methylsulfanylacetamide
CID 52140709

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide (CID 23104711) is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide is CC(S)C(=O)NC(C)(C)CS.
What is the InChIKey of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide?
The InChIKey is BGLFVCNGQSNHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-5(11)6(9)8-7(2,3)4-10/h5,10-11H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide?
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide has a molecular weight of 193.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 23104711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).