N,N-dimethylpiperazine-1-carbothioamide

C7H15N3S — CID 82280467

IUPACN,N-dimethylpiperazine-1-carbothioamide
SMILESCN(C)C(=S)N1CCNCC1
InChIInChI=1S/C7H15N3S/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKeyWCYNYUWOMRXRRD-UHFFFAOYSA-N
MW173.28 g/mol
LogP-0.26
Rot. Bonds

About N,N-dimethylpiperazine-1-carbothioamide

N,N-dimethylpiperazine-1-carbothioamide (PubChem CID 82280467) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is N,N-dimethylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN,N-dimethylpiperazine-1-carbothioamide
PubChem CID82280467
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC NameN,N-dimethylpiperazine-1-carbothioamide
SMILESCN(C)C(=S)N1CCNCC1
InChIInChI=1S/C7H15N3S/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKeyWCYNYUWOMRXRRD-UHFFFAOYSA-N
XLogP-0.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 5-0.26
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

Mls003115957
CID 2806901
(Ethylamino)(4-methylpiperazinyl)methane-1-thione
CID 859061
4-Methylpiperazine-1-carbothioamide
CID 2113086
N,4-dimethylpiperazine-1-carbothioamide
CID 859055
Piperazine-1-carbothioamide hydrochloride
CID 138987811
(Ethylamino)(4-ethylpiperazinyl)methane-1-thione
CID 796301
1-Piperazinecarbothioamide
CID 4739638
1-(Piperazin-1-yl)ethanamine
CID 17889510
1-Piperazinecarbothioamide, 4-ethyl-N-methyl-
CID 859011
2-Piperazin-1-ethylamin
CID 21848500
Amino ethyl piperazine
CID 21967062
N-butyl-4-ethylpiperazine-1-carbothioamide
CID 3191986

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpiperazine-1-carbothioamide?
The IUPAC name of N,N-dimethylpiperazine-1-carbothioamide (CID 82280467) is N,N-dimethylpiperazine-1-carbothioamide.
What is the SMILES notation for N,N-dimethylpiperazine-1-carbothioamide?
The canonical SMILES for N,N-dimethylpiperazine-1-carbothioamide is CN(C)C(=S)N1CCNCC1.
What is the InChIKey of N,N-dimethylpiperazine-1-carbothioamide?
The InChIKey is WCYNYUWOMRXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3.
What are the key properties of N,N-dimethylpiperazine-1-carbothioamide?
N,N-dimethylpiperazine-1-carbothioamide has a molecular weight of 173.28 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpiperazine-1-carbothioamide is sourced from PubChem (CID 82280467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).