1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine

C12H22N4S — CID 134202138

IUPAC1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine
SMILESC1CC(N2CCN(CSC3=NCCN3)CC2)C1
InChIInChI=1S/C12H22N4S/c1-2-11(3-1)16-8-6-15(7-9-16)10-17-12-13-4-5-14-12/h11H,1-10H2,(H,13,14)
InChIKeyMNARQSRICMVASC-UHFFFAOYSA-N
MW254.40 g/mol
LogP0.81
Rot. Bonds3

About 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine

1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine (PubChem CID 134202138) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine
PubChem CID134202138
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine
SMILESC1CC(N2CCN(CSC3=NCCN3)CC2)C1
InChIInChI=1S/C12H22N4S/c1-2-11(3-1)16-8-6-15(7-9-16)10-17-12-13-4-5-14-12/h11H,1-10H2,(H,13,14)
InChIKeyMNARQSRICMVASC-UHFFFAOYSA-N
XLogP0.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
CID 67279516
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63896560
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63898991
1-{[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]methyl}-2-methylpiperidine
CID 71399218
1-{[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]methyl}piperidine
CID 71399219
2-(2,5-Dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
CID 82670885
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492479
5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine
CID 173460741

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine?
The IUPAC name of 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine (CID 134202138) is 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine.
What is the SMILES notation for 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine?
The canonical SMILES for 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine is C1CC(N2CCN(CSC3=NCCN3)CC2)C1.
What is the InChIKey of 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine?
The InChIKey is MNARQSRICMVASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-2-11(3-1)16-8-6-15(7-9-16)10-17-12-13-4-5-14-12/h11H,1-10H2,(H,13,14).
What are the key properties of 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine?
1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine has a molecular weight of 254.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine is sourced from PubChem (CID 134202138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).