1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide

C13H24N4O2S — CID 43290344

IUPAC1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-16(6-4-11(14)20)12(18)5-9-17-7-2-10(3-8-17)13(15)19/h10H,2-9H2,1H3,(H2,14,20)(H2,15,19)
InChIKeyTZYOFHMYZNXATC-UHFFFAOYSA-N
MW300.43 g/mol
LogP-0.29
Rot. Bonds7

About 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide

1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 43290344) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide
PubChem CID43290344
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-16(6-4-11(14)20)12(18)5-9-17-7-2-10(3-8-17)13(15)19/h10H,2-9H2,1H3,(H2,14,20)(H2,15,19)
InChIKeyTZYOFHMYZNXATC-UHFFFAOYSA-N
XLogP-0.29
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 5-0.29
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

1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
CID 155289205
1-Butanoylpiperidine-4-carboxamide
CID 17312169
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 65537012
3-Methyl-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanethioamide
CID 65537835
2-[4-(Trifluoromethyl)piperidine-1-carbonyl]butanethioamide
CID 65538408
2-Methyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65538410
2-[4-(Trifluoromethyl)piperidine-1-carbonyl]pentanethioamide
CID 65538599
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]butanethioamide
CID 65539173
1-(3-Methylbutanoyl)piperidine-4-carboxamide
CID 17311848
1-Propionylpiperidine-4-carboxamide
CID 17312141
1-Acetylpiperidine-4-carbothioamide
CID 39237875
1-(2,2-Dimethylpropanoyl)piperidine-4-carbothioamide
CID 39247454

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide (CID 43290344) is 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide is CN(CCC(N)=S)C(=O)CCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is TZYOFHMYZNXATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-16(6-4-11(14)20)12(18)5-9-17-7-2-10(3-8-17)13(15)19/h10H,2-9H2,1H3,(H2,14,20)(H2,15,19).
What are the key properties of 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 300.43 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 43290344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).