[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine

C9H17N5O2S — CID 113415485

IUPAC[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine
SMILESCc1ncc(S(=O)(=O)N2CCNCC2CN)[nH]1
InChIInChI=1S/C9H17N5O2S/c1-7-12-6-9(13-7)17(15,16)14-3-2-11-5-8(14)4-10/h6,8,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyQFAFVKMHXNDPTI-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.36
Rot. Bonds3

About [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine

[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine (PubChem CID 113415485) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine
PubChem CID113415485
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine
SMILESCc1ncc(S(=O)(=O)N2CCNCC2CN)[nH]1
InChIInChI=1S/C9H17N5O2S/c1-7-12-6-9(13-7)17(15,16)14-3-2-11-5-8(14)4-10/h6,8,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyQFAFVKMHXNDPTI-UHFFFAOYSA-N
XLogP-1.36
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80675568
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
CID 64560534
1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
CID 115315246
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 115300233
2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79544387
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
1-(2-bromoethyl)-4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine
CID 80675816
5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
CID 79993396
1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
CID 82249423
(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
CID 82755279
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine?
The IUPAC name of [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine (CID 113415485) is [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine?
The canonical SMILES for [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine is Cc1ncc(S(=O)(=O)N2CCNCC2CN)[nH]1.
What is the InChIKey of [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine?
The InChIKey is QFAFVKMHXNDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-7-12-6-9(13-7)17(15,16)14-3-2-11-5-8(14)4-10/h6,8,11H,2-5,10H2,1H3,(H,12,13).
What are the key properties of [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine?
[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine has a molecular weight of 259.33 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 113415485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).