1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine

C10H18N4O2S — CID 64560534

IUPAC1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
SMILESCc1ncc(S(=O)(=O)N2CCCCCC2N)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-8-12-7-10(13-8)17(15,16)14-6-4-2-3-5-9(14)11/h7,9H,2-6,11H2,1H3,(H,12,13)
InChIKeyVAVQKDAKURBRPQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.57
Rot. Bonds2

About 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine

1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine (PubChem CID 64560534) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
PubChem CID64560534
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
SMILESCc1ncc(S(=O)(=O)N2CCCCCC2N)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-8-12-7-10(13-8)17(15,16)14-6-4-2-3-5-9(14)11/h7,9H,2-6,11H2,1H3,(H,12,13)
InChIKeyVAVQKDAKURBRPQ-UHFFFAOYSA-N
XLogP0.57
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80675568
2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79544387
[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine
CID 113415485
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
CID 83096595
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 115300233
1-methylsulfonylazepan-2-amine
CID 64560545
5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
CID 79993396
2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-amine
CID 43096650
2-(2-aminoazepan-1-yl)sulfonylbenzonitrile
CID 64560346
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine (CID 64560534) is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine is Cc1ncc(S(=O)(=O)N2CCCCCC2N)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine?
The InChIKey is VAVQKDAKURBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-12-7-10(13-8)17(15,16)14-6-4-2-3-5-9(14)11/h7,9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine?
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine has a molecular weight of 258.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine is sourced from PubChem (CID 64560534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).