N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide

C11H21N3OS — CID 79159564

IUPACN-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCC(N)=S)C1
InChIInChI=1S/C11H21N3OS/c1-9-4-3-7-14(8-9)11(15)13-6-2-5-10(12)16/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyYAOPEMIZVRFQRF-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.49
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide

N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79159564) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
PubChem CID79159564
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCC(N)=S)C1
InChIInChI=1S/C11H21N3OS/c1-9-4-3-7-14(8-9)11(15)13-6-2-5-10(12)16/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyYAOPEMIZVRFQRF-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide (CID 79159564) is N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCCC(N)=S)C1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is YAOPEMIZVRFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-4-3-7-14(8-9)11(15)13-6-2-5-10(12)16/h9H,2-8H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 243.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).