N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

C13H25N3OS — CID 79159462

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H25N3OS/c1-4-15(9-11(3)12(14)18)13(17)16-7-5-6-10(2)8-16/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyANAZXEBPKCBMGT-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.08
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (PubChem CID 79159462) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
PubChem CID79159462
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H25N3OS/c1-4-15(9-11(3)12(14)18)13(17)16-7-5-6-10(2)8-16/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyANAZXEBPKCBMGT-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.08
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

N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79160129
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159196
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyloxane-2-carboxamide
CID 62213541
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79159659

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (CID 79159462) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide is CCN(CC(C)C(N)=S)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The InChIKey is ANAZXEBPKCBMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-15(9-11(3)12(14)18)13(17)16-7-5-6-10(2)8-16/h10-11H,4-9H2,1-3H3,(H2,14,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide has a molecular weight of 271.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).