N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide

C12H24N2OS — CID 82103611

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCC(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-11(2,3)10(15)14(12(4,5)6)8-7-9(13)16/h7-8H2,1-6H3,(H2,13,16)
InChIKeyZSUVVDGFMPOFPI-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.34
Rot. Bonds3

About N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide (PubChem CID 82103611) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
PubChem CID82103611
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCC(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-11(2,3)10(15)14(12(4,5)6)8-7-9(13)16/h7-8H2,1-6H3,(H2,13,16)
InChIKeyZSUVVDGFMPOFPI-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
CID 82103606
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 82104144
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylpyridine-3-carboxamide
CID 82103638
3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610
3-[cyclopropyl(3,3-dimethylbutylsulfonyl)amino]propanethioamide
CID 103521184
4,4-dimethylpentanethioamide
CID 61481159
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
CID 103020271
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
3-[cyclopropyl(2-methylsulfonylethylsulfonyl)amino]propanethioamide
CID 63243082

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide (CID 82103611) is N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCC(N)=S)C(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide?
The InChIKey is ZSUVVDGFMPOFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-11(2,3)10(15)14(12(4,5)6)8-7-9(13)16/h7-8H2,1-6H3,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide has a molecular weight of 244.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide is sourced from PubChem (CID 82103611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).