4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide

C14H28N4OS — CID 63341503

IUPAC4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
SMILESCCCC(C(N)=S)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N4OS/c1-5-6-11(12(15)20)17-7-9-18(10-8-17)13(19)16-14(2,3)4/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyFYAXIMSITZZVRL-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.57
Rot. Bonds4

About 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide

4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide (PubChem CID 63341503) 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-tert-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
PubChem CID63341503
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide
SMILESCCCC(C(N)=S)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N4OS/c1-5-6-11(12(15)20)17-7-9-18(10-8-17)13(19)16-14(2,3)4/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyFYAXIMSITZZVRL-UHFFFAOYSA-N
XLogP1.57
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide (CID 63341503) is 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide is CCCC(C(N)=S)N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide?
The InChIKey is FYAXIMSITZZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-5-6-11(12(15)20)17-7-9-18(10-8-17)13(19)16-14(2,3)4/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19).
What are the key properties of 4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide?
4-(1-amino-1-sulfanylidenepentan-2-yl)-N-tert-butylpiperazine-1-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 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-tert-butylpiperazine-1-carboxamide is sourced from PubChem (CID 63341503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).