1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine

C11H22N2O2S — CID 126752890

IUPAC1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)12-6-8-13(9-7-12)16(14,15)11(3)4-5-11/h10H,4-9H2,1-3H3
InChIKeyMQSRDJMZPMFKIO-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.89
Rot. Bonds3

About 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine

1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 126752890) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID126752890
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)12-6-8-13(9-7-12)16(14,15)11(3)4-5-11/h10H,4-9H2,1-3H3
InChIKeyMQSRDJMZPMFKIO-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 136546247
4-fluoro-1-propan-2-ylpiperidine-4-sulfonamide
CID 126737674
4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
CID 103573992
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43585004
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine
CID 69355171
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
2-methylsulfonyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 142444574

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine (CID 126752890) is 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)C2(C)CC2)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is MQSRDJMZPMFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)12-6-8-13(9-7-12)16(14,15)11(3)4-5-11/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine?
1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 246.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 126752890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).