N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide

C11H20N2S — CID 115605781

IUPACN-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
SMILESCC1(C)CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C11H20N2S/c1-11(2)5-7-13(8-6-11)10(14)12-9-3-4-9/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyKJDHCYMKAQAUAE-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.15
Rot. Bonds1

About N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide

N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide (PubChem CID 115605781) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
PubChem CID115605781
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
SMILESCC1(C)CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C11H20N2S/c1-11(2)5-7-13(8-6-11)10(14)12-9-3-4-9/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyKJDHCYMKAQAUAE-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.15
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-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
CID 115662451
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579026
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
CID 115580686
N-cyclopentyl-3,3,4-trimethylpiperazine-1-carbothioamide
CID 116508623
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclopropyl-3-methoxypyrrolidine-1-carbothioamide
CID 103532015
(2S)-4-benzyl-N-cyclopropyl-2-methyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93145823
ethyl 1-(cyclopropylcarbamothioyl)piperidine-4-carboxylate
CID 2033229
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide (CID 115605781) is N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide is CC1(C)CCN(C(=S)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide?
The InChIKey is KJDHCYMKAQAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(2)5-7-13(8-6-11)10(14)12-9-3-4-9/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide?
N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide is sourced from PubChem (CID 115605781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).