[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine

C15H25N3O2S — CID 62777478

IUPAC[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
SMILESCC(C)CN1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13(2)12-17-7-9-18(10-8-17)21(19,20)15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3
InChIKeyGVDMDTVQHQWGQS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.11
Rot. Bonds5

About [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine

[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine (PubChem CID 62777478) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
PubChem CID62777478
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
SMILESCC(C)CN1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13(2)12-17-7-9-18(10-8-17)21(19,20)15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3
InChIKeyGVDMDTVQHQWGQS-UHFFFAOYSA-N
XLogP1.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]boronic acid
CID 75486095
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056
1-[(2-chloro-4-pyridinyl)sulfonyl]-4-(2-methylpropyl)piperazine
CID 61045915
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224
[4-[(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)sulfonyl]phenyl]methanamine
CID 154436586
5-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylaniline
CID 61138407

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine?
The IUPAC name of [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine (CID 62777478) is [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine.
What is the SMILES notation for [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine?
The canonical SMILES for [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine is CC(C)CN1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine?
The InChIKey is GVDMDTVQHQWGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(2)12-17-7-9-18(10-8-17)21(19,20)15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3.
What are the key properties of [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine?
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine has a molecular weight of 311.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine is sourced from PubChem (CID 62777478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).