4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide

C14H28N4OS — CID 63342444

IUPAC4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCN(C(C)(C)C(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-14(2,13(15)20)18-10-8-17(9-11-18)7-5-6-12(19)16(3)4/h5-11H2,1-4H3,(H2,15,20)
InChIKeyUSXVALGZXKEOEN-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.54
Rot. Bonds6

About 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide

4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide (PubChem CID 63342444) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide
PubChem CID63342444
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCN(C(C)(C)C(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-14(2,13(15)20)18-10-8-17(9-11-18)7-5-6-12(19)16(3)4/h5-11H2,1-4H3,(H2,15,20)
InChIKeyUSXVALGZXKEOEN-UHFFFAOYSA-N
XLogP0.54
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide (CID 63342444) is 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN1CCN(C(C)(C)C(N)=S)CC1.
What is the InChIKey of 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide?
The InChIKey is USXVALGZXKEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-14(2,13(15)20)18-10-8-17(9-11-18)7-5-6-12(19)16(3)4/h5-11H2,1-4H3,(H2,15,20).
What are the key properties of 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide?
4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide has a molecular weight of 300.47 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 63342444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).