2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide

C13H26N2S — CID 130369462

IUPAC2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide
SMILESCCCC(C)C(=S)NCCN1CCCCC1
InChIInChI=1S/C13H26N2S/c1-3-7-12(2)13(16)14-8-11-15-9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyNZXMFCICEHDZSS-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.83
Rot. Bonds6

About 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide

2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide (PubChem CID 130369462) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide
PubChem CID130369462
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide
SMILESCCCC(C)C(=S)NCCN1CCCCC1
InChIInChI=1S/C13H26N2S/c1-3-7-12(2)13(16)14-8-11-15-9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyNZXMFCICEHDZSS-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
5-amino-2-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 104684890
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
2-ethyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 71199259
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide?
The IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide (CID 130369462) is 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide is CCCC(C)C(=S)NCCN1CCCCC1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide?
The InChIKey is NZXMFCICEHDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-7-12(2)13(16)14-8-11-15-9-5-4-6-10-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide?
2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide has a molecular weight of 242.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide is sourced from PubChem (CID 130369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).