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

C15H28N4OS — CID 63342020

IUPAC2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCCC(C(N)=S)N1CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C15H28N4OS/c1-2-3-13(15(16)21)19-8-6-18(7-9-19)11-14(20)17-10-12-4-5-12/h12-13H,2-11H2,1H3,(H2,16,21)(H,17,20)
InChIKeyXNRFVALMVSLMAB-UHFFFAOYSA-N
MW312.48 g/mol
LogP0.58
Rot. Bonds8

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

2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 63342020) 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-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID63342020
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCCC(C(N)=S)N1CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C15H28N4OS/c1-2-3-13(15(16)21)19-8-6-18(7-9-19)11-14(20)17-10-12-4-5-12/h12-13H,2-11H2,1H3,(H2,16,21)(H,17,20)
InChIKeyXNRFVALMVSLMAB-UHFFFAOYSA-N
XLogP0.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 50.58
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]-N-(2-methylpropyl)acetamide
CID 63341452
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341629
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
CID 63341842
2-[4-(5-hydroxypentyl)piperazin-1-yl]pentanethioamide
CID 63341676
2-[4-(2-ethoxyethyl)piperazin-1-yl]pentanethioamide
CID 63341671
2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]pentanethioamide
CID 103033744
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]pentanethioamide
CID 63341583
2-[4-(3-hydroxypropyl)piperazin-1-yl]pentanethioamide
CID 63341499
4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
CID 63341503
2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pentanethioamide
CID 55202758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 63342020) is 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide is CCCC(C(N)=S)N1CCN(CC(=O)NCC2CC2)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is XNRFVALMVSLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-2-3-13(15(16)21)19-8-6-18(7-9-19)11-14(20)17-10-12-4-5-12/h12-13H,2-11H2,1H3,(H2,16,21)(H,17,20).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 312.48 g/mol, XLogP of 0.58, 8 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 63342020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).