N-butyl-2-methylpiperidine-1-carbothioamide

C11H22N2S — CID 19653959

IUPACN-butyl-2-methylpiperidine-1-carbothioamide
SMILESCCCCNC(=S)N1CCCCC1C
InChIInChI=1S/C11H22N2S/c1-3-4-8-12-11(14)13-9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyAOYXNVSSXILKRX-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.54
Rot. Bonds3

About N-butyl-2-methylpiperidine-1-carbothioamide

N-butyl-2-methylpiperidine-1-carbothioamide (PubChem CID 19653959) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-butyl-2-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-butyl-2-methylpiperidine-1-carbothioamide
PubChem CID19653959
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-butyl-2-methylpiperidine-1-carbothioamide
SMILESCCCCNC(=S)N1CCCCC1C
InChIInChI=1S/C11H22N2S/c1-3-4-8-12-11(14)13-9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyAOYXNVSSXILKRX-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-2-propylpiperidine-1-carbothioamide
CID 104587654
N-butyl-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide
CID 115633568
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
CID 94171194
N-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carbothioamide
CID 63402446
N-butyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883055
(2S,6S)-N-decyl-2,6-dimethylpiperidine-1-carbothioamide
CID 98157750
2,6-dimethyl-N-octylpiperidine-1-carbothioamide
CID 3437179
N-butylazetidine-1-carbothioamide
CID 115576699
N-butyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbothioamide
CID 113224056
N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964
N-benzyl-2-methylpiperidine-1-carbothioamide
CID 4032139

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpiperidine-1-carbothioamide?
The IUPAC name of N-butyl-2-methylpiperidine-1-carbothioamide (CID 19653959) is N-butyl-2-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-butyl-2-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-butyl-2-methylpiperidine-1-carbothioamide is CCCCNC(=S)N1CCCCC1C.
What is the InChIKey of N-butyl-2-methylpiperidine-1-carbothioamide?
The InChIKey is AOYXNVSSXILKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-4-8-12-11(14)13-9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-2-methylpiperidine-1-carbothioamide?
N-butyl-2-methylpiperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 19653959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).