2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

C15H28N4OS — CID 63341629

IUPAC2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCCCC(C(N)=S)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N4OS/c1-3-4-13(14(16)21)19-9-7-18(8-10-19)11(2)15(20)17-12-5-6-12/h11-13H,3-10H2,1-2H3,(H2,16,21)(H,17,20)
InChIKeyNBANQAYFNUESKV-UHFFFAOYSA-N
MW312.48 g/mol
LogP0.73
Rot. Bonds7

About 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 63341629) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID63341629
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCCCC(C(N)=S)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N4OS/c1-3-4-13(14(16)21)19-9-7-18(8-10-19)11(2)15(20)17-12-5-6-12/h11-13H,3-10H2,1-2H3,(H2,16,21)(H,17,20)
InChIKeyNBANQAYFNUESKV-UHFFFAOYSA-N
XLogP0.73
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 50.73
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-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79162161
4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
CID 63341503
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63342020
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 120502700
3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341711
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 75523124
N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 63341629) is 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is CCCC(C(N)=S)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is NBANQAYFNUESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-3-4-13(14(16)21)19-9-7-18(8-10-19)11(2)15(20)17-12-5-6-12/h11-13H,3-10H2,1-2H3,(H2,16,21)(H,17,20).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 312.48 g/mol, XLogP of 0.73, 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-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 63341629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).