N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide

C12H24N2OS — CID 63833793

IUPACN-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)CCC(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-9(12(2,3)4)8-11(15)14(5)7-6-10(13)16/h9H,6-8H2,1-5H3,(H2,13,16)
InChIKeyDMLKDTNEZSFEMT-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.19
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide

N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide (PubChem CID 63833793) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
PubChem CID63833793
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)CCC(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-9(12(2,3)4)8-11(15)14(5)7-6-10(13)16/h9H,6-8H2,1-5H3,(H2,13,16)
InChIKeyDMLKDTNEZSFEMT-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide (CID 63833793) is N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide is CC(CC(=O)N(C)CCC(N)=S)C(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The InChIKey is DMLKDTNEZSFEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(12(2,3)4)8-11(15)14(5)7-6-10(13)16/h9H,6-8H2,1-5H3,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide has a molecular weight of 244.40 g/mol, XLogP of 2.19, 5 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,3,4,4-tetramethylpentanamide is sourced from PubChem (CID 63833793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).