2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide

C10H20N4OS — CID 63336256

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H20N4OS/c1-8(10(15)12-2)14-5-3-13(4-6-14)7-9(11)16/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyDKAYVTCNCIGVBS-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.98
Rot. Bonds4

About 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 63336256) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID63336256
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H20N4OS/c1-8(10(15)12-2)14-5-3-13(4-6-14)7-9(11)16/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyDKAYVTCNCIGVBS-UHFFFAOYSA-N
XLogP-0.98
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.98
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-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 75790691
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
(2S)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774492
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
(2R)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774494
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide (CID 63336256) is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is DKAYVTCNCIGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-8(10(15)12-2)14-5-3-13(4-6-14)7-9(11)16/h8H,3-7H2,1-2H3,(H2,11,16)(H,12,15).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide?
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 244.36 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 63336256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).