N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide

C9H18N2OS — CID 82103606

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
SMILESCC(=O)N(CCC(N)=S)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-7(12)11(9(2,3)4)6-5-8(10)13/h5-6H2,1-4H3,(H2,10,13)
InChIKeyVWRLMDDVRWJIBL-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.31
Rot. Bonds3

About N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide (PubChem CID 82103606) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
PubChem CID82103606
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
SMILESCC(=O)N(CCC(N)=S)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-7(12)11(9(2,3)4)6-5-8(10)13/h5-6H2,1-4H3,(H2,10,13)
InChIKeyVWRLMDDVRWJIBL-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.31
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-butyl-2,2-dimethylpropanamide
CID 82103611
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 82104144
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylpyridine-3-carboxamide
CID 82103638
3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610
N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
CID 82104197
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
CID 82103796
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
CID 103020271
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide (CID 82103606) is N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide is CC(=O)N(CCC(N)=S)C(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide?
The InChIKey is VWRLMDDVRWJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(12)11(9(2,3)4)6-5-8(10)13/h5-6H2,1-4H3,(H2,10,13).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide has a molecular weight of 202.32 g/mol, XLogP of 1.31, 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-butylacetamide is sourced from PubChem (CID 82103606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).