N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide

C11H21N3S — CID 115579026

IUPACN-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
SMILESCC(C)N1CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C11H21N3S/c1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyYJHGAGQNOLGZMR-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.05
Rot. Bonds2

About N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide

N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide (PubChem CID 115579026) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
PubChem CID115579026
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
SMILESCC(C)N1CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C11H21N3S/c1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyYJHGAGQNOLGZMR-UHFFFAOYSA-N
XLogP1.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.05
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-cyclopropylazocane-1-carbothioamide
CID 115570256
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea
CID 17276884
N-phenyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 45366687
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579030
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
CID 115662451
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carbothioamide
CID 107216870
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclopropyl-3-methoxypyrrolidine-1-carbothioamide
CID 103532015
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carbothioamide
CID 116508807
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide (CID 115579026) is N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide is CC(C)N1CCN(C(=S)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide?
The InChIKey is YJHGAGQNOLGZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide?
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide has a molecular weight of 227.38 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 115579026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).