2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C14H28N4OS — CID 63341452

IUPAC2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCC(C(N)=S)N1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H28N4OS/c1-4-12(14(15)20)18-7-5-17(6-8-18)10-13(19)16-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyLXPXUIKSPGTORQ-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.44
Rot. Bonds7

About 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 63341452) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID63341452
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCC(C(N)=S)N1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H28N4OS/c1-4-12(14(15)20)18-7-5-17(6-8-18)10-13(19)16-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyLXPXUIKSPGTORQ-UHFFFAOYSA-N
XLogP0.44
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
CID 63341842
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63342020
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
ethyl 4-(1-amino-1-sulfanylidenebutan-2-yl)piperazine-1-carboxylate
CID 63344052
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]butanethioamide
CID 82888621
3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341711
4-(1-amino-1-sulfanylidenebutan-2-yl)-N-propylpiperazine-1-carboxamide
CID 63344139
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(6-hydroxyhexyl)piperazin-1-yl]butanethioamide
CID 107703812
2-[4-(3-hydroxy-3-methylbutyl)piperazin-1-yl]butanethioamide
CID 79356102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 63341452) is 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CCC(C(N)=S)N1CCN(CC(=O)NCC(C)C)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is LXPXUIKSPGTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-4-12(14(15)20)18-7-5-17(6-8-18)10-13(19)16-9-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 300.47 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 63341452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).