4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide

C14H28N4OS — CID 79162161

IUPAC4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCCC(C(N)=S)N1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C14H28N4OS/c1-4-7-12(13(15)20)17-8-10-18(11-9-17)14(19)16(5-2)6-3/h12H,4-11H2,1-3H3,(H2,15,20)
InChIKeyFVMAOLYXPXIUPY-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.52
Rot. Bonds6

About 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide

4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79162161) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID79162161
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCCC(C(N)=S)N1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C14H28N4OS/c1-4-7-12(13(15)20)17-8-10-18(11-9-17)14(19)16(5-2)6-3/h12H,4-11H2,1-3H3,(H2,15,20)
InChIKeyFVMAOLYXPXIUPY-UHFFFAOYSA-N
XLogP1.52
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
CID 63341503
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341629
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
2-[4-(pyridazine-4-carbonyl)piperazin-1-yl]pentanethioamide
CID 104670470
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]pentanethioamide
CID 63343943
2-(4-butanoylpiperazin-1-yl)butanethioamide
CID 63340184
2-[4-(5-hydroxypentyl)piperazin-1-yl]pentanethioamide
CID 63341676
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]pentanethioamide
CID 63341583
2-[4-(3-hydroxypropyl)piperazin-1-yl]pentanethioamide
CID 63341499
2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pentanethioamide
CID 55202758

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide (CID 79162161) is 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide is CCCC(C(N)=S)N1CCN(C(=O)N(CC)CC)CC1.
What is the InChIKey of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is FVMAOLYXPXIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-4-7-12(13(15)20)17-8-10-18(11-9-17)14(19)16(5-2)6-3/h12H,4-11H2,1-3H3,(H2,15,20).
What are the key properties of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79162161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).