3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide

C11H22N2S — CID 115871819

IUPAC3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCC(C)C(C)C1
InChIInChI=1S/C11H22N2S/c1-8(2)12-11(14)13-6-5-9(3)10(4)7-13/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyQKQMZJLSRXQQGP-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.25
Rot. Bonds1

About 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide

3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide (PubChem CID 115871819) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
PubChem CID115871819
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCC(C)C(C)C1
InChIInChI=1S/C11H22N2S/c1-8(2)12-11(14)13-6-5-9(3)10(4)7-13/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyQKQMZJLSRXQQGP-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 3973700
(5S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)imidazolidine-2-thione
CID 45281048
N-cyclohexyl-4-methylpiperidine-1-carbothioamide
CID 724235
N-cyclopentyl-3-methyl-1-piperidinecarbothioamide
CID 2945994
(5S)-1-[(1-butylpiperidin-4-yl)methyl]-5-(2-methylpropyl)imidazolidine-2-thione
CID 45281042
5-(2-Ethylhexyl)-1,3,5-triazinane-2-thione
CID 2931156
(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
CID 46902190
1-Butyl-6-butylamino-4,4,6-trimethyl-2(1H)-pyrimidinthion
CID 12330068
N-butyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 113218455
N-butyl-4-(trifluoromethyl)piperidine-1-carbothioamide
CID 113245367
N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570993
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570995

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The IUPAC name of 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide (CID 115871819) is 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide.
What is the SMILES notation for 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The canonical SMILES for 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide is CC(C)NC(=S)N1CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The InChIKey is QKQMZJLSRXQQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8(2)12-11(14)13-6-5-9(3)10(4)7-13/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 115871819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).